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1269493-45-9,MFCD18452117
Catalog No.:AA000WE3

1269493-45-9 | 5-Bromo-2-fluoro-4-methylbenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$6.00   $4.00
- +
250mg
98%
in stock  
$7.00   $5.00
- +
1g
98%
in stock  
$9.00   $7.00
- +
5g
98%
in stock  
$25.00   $18.00
- +
10g
98%
in stock  
$48.00   $34.00
- +
25g
98%
in stock  
$120.00   $84.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000WE3
Chemical Name:
5-Bromo-2-fluoro-4-methylbenzonitrile
CAS Number:
1269493-45-9
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
MDL Number:
MFCD18452117
SMILES:
N#Cc1cc(Br)c(cc1F)C
Properties
Computed Properties
 
Complexity:
186  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.8  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ROCHEHOLDINGAG;XENONPHARMACEUTICALSINC-WO2014/144545,2014,A2Locationinpatent:Page/Pagecolumn56

[2]Focken,Thilo;Chowdhury,Sultan;Zenova,Alla;Grimwood,MichaelE.;Chabot,Christine;Sheng,Tao;Hemeon,Ivan;Decker,ShannonM.;Wilson,Michael;Bichler,Paul;Jia,Qi;Sun,Shaoyi;Young,Clint;Lin,Sophia;Goodchild,SamuelJ.;Shuart,NoahG.;Chang,Elaine;Xie,Zhiwei;Li,Bowen;Khakh,Kuldip;Bankar,Girish;Waldbrook,Matthew;Kwan,Rainbow;Nelkenbrecher,Karen;KarimiTari,Parisa;Chahal,Navjot;Sojo,Luis;Robinette,C.Lee;White,AndrewD.;Chen,Chien-An;Zhang,Yi;Pang,Jodie;Chang,JaeH.;Hackos,DavidH.;Johnson;Cohen,CharlesJ.;Ortwine,DanielF.;Sutherlin,DanielP.;Dehnhardt,ChristophM.;Safina,BrianS.[JournalofMedicinalChemistry,2018,vol.61,#11,p.4810-4831]

[1]CurrentPatentAssignee:ROCHEHOLDINGAG;XENONPHARMACEUTICALSINC-WO2014/144545,2014,A2

[2]Focken,Thilo;Chowdhury,Sultan;Zenova,Alla;Grimwood,MichaelE.;Chabot,Christine;Sheng,Tao;Hemeon,Ivan;Decker,ShannonM.;Wilson,Michael;Bichler,Paul;Jia,Qi;Sun,Shaoyi;Young,Clint;Lin,Sophia;Goodchild,SamuelJ.;Shuart,NoahG.;Chang,Elaine;Xie,Zhiwei;Li,Bowen;Khakh,Kuldip;Bankar,Girish;Waldbrook,Matthew;Kwan,Rainbow;Nelkenbrecher,Karen;KarimiTari,Parisa;Chahal,Navjot;Sojo,Luis;Robinette,C.Lee;White,AndrewD.;Chen,Chien-An;Zhang,Yi;Pang,Jodie;Chang,JaeH.;Hackos,DavidH.;Johnson;Cohen,CharlesJ.;Ortwine,DanielF.;Sutherlin,DanielP.;Dehnhardt,ChristophM.;Safina,BrianS.[JournalofMedicinalChemistry,2018,vol.61,#11,p.4810-4831]

[1]CurrentPatentAssignee:ROCHEHOLDINGAG;XENONPHARMACEUTICALSINC-WO2014/144545,2014,A2

[2]Focken,Thilo;Chowdhury,Sultan;Zenova,Alla;Grimwood,MichaelE.;Chabot,Christine;Sheng,Tao;Hemeon,Ivan;Decker,ShannonM.;Wilson,Michael;Bichler,Paul;Jia,Qi;Sun,Shaoyi;Young,Clint;Lin,Sophia;Goodchild,SamuelJ.;Shuart,NoahG.;Chang,Elaine;Xie,Zhiwei;Li,Bowen;Khakh,Kuldip;Bankar,Girish;Waldbrook,Matthew;Kwan,Rainbow;Nelkenbrecher,Karen;KarimiTari,Parisa;Chahal,Navjot;Sojo,Luis;Robinette,C.Lee;White,AndrewD.;Chen,Chien-An;Zhang,Yi;Pang,Jodie;Chang,JaeH.;Hackos,DavidH.;Johnson;Cohen,CharlesJ.;Ortwine,DanielF.;Sutherlin,DanielP.;Dehnhardt,ChristophM.;Safina,BrianS.[JournalofMedicinalChemistry,2018,vol.61,#11,p.4810-4831]

[1]CurrentPatentAssignee:ROCHEHOLDINGAG;XENONPHARMACEUTICALSINC-WO2014/144545,2014,A2

[2]Focken,Thilo;Chowdhury,Sultan;Zenova,Alla;Grimwood,MichaelE.;Chabot,Christine;Sheng,Tao;Hemeon,Ivan;Decker,ShannonM.;Wilson,Michael;Bichler,Paul;Jia,Qi;Sun,Shaoyi;Young,Clint;Lin,Sophia;Goodchild,SamuelJ.;Shuart,NoahG.;Chang,Elaine;Xie,Zhiwei;Li,Bowen;Khakh,Kuldip;Bankar,Girish;Waldbrook,Matthew;Kwan,Rainbow;Nelkenbrecher,Karen;KarimiTari,Parisa;Chahal,Navjot;Sojo,Luis;Robinette,C.Lee;White,AndrewD.;Chen,Chien-An;Zhang,Yi;Pang,Jodie;Chang,JaeH.;Hackos,DavidH.;Johnson;Cohen,CharlesJ.;Ortwine,DanielF.;Sutherlin,DanielP.;Dehnhardt,ChristophM.;Safina,BrianS.[JournalofMedicinalChemistry,2018,vol.61,#11,p.4810-4831]

[1]CurrentPatentAssignee:ROCHEHOLDINGAG;XENONPHARMACEUTICALSINC-WO2014/144545,2014,A2

[2]Focken,Thilo;Chowdhury,Sultan;Zenova,Alla;Grimwood,MichaelE.;Chabot,Christine;Sheng,Tao;Hemeon,Ivan;Decker,ShannonM.;Wilson,Michael;Bichler,Paul;Jia,Qi;Sun,Shaoyi;Young,Clint;Lin,Sophia;Goodchild,SamuelJ.;Shuart,NoahG.;Chang,Elaine;Xie,Zhiwei;Li,Bowen;Khakh,Kuldip;Bankar,Girish;Waldbrook,Matthew;Kwan,Rainbow;Nelkenbrecher,Karen;KarimiTari,Parisa;Chahal,Navjot;Sojo,Luis;Robinette,C.Lee;White,AndrewD.;Chen,Chien-An;Zhang,Yi;Pang,Jodie;Chang,JaeH.;Hackos,DavidH.;Johnson;Cohen,CharlesJ.;Ortwine,DanielF.;Sutherlin,DanielP.;Dehnhardt,ChristophM.;Safina,BrianS.[JournalofMedicinalChemistry,2018,vol.61,#11,p.4810-4831]

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Tags:1269493-45-9 Molecular Formula|1269493-45-9 MDL|1269493-45-9 SMILES|1269493-45-9 5-Bromo-2-fluoro-4-methylbenzonitrile
Catalog No.: AA000WE3
1269493-45-9,MFCD18452117
1269493-45-9 | 5-Bromo-2-fluoro-4-methylbenzonitrile
Pack Size： 100mg
Purity： 98%
in stock
$6.00 $4.00
Pack Size： 250mg
Purity： 98%
in stock
$7.00 $5.00
Pack Size： 1g
Purity： 98%
in stock
$9.00 $7.00
Pack Size： 5g
Purity： 98%
in stock
$25.00 $18.00
Pack Size： 10g
Purity： 98%
in stock
$48.00 $34.00
Pack Size： 25g
Purity： 98%
in stock
$120.00 $84.00
Quantity
- +
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Technical Information
Catalog Number: AA000WE3
Chemical Name: 5-Bromo-2-fluoro-4-methylbenzonitrile
CAS Number: 1269493-45-9
Molecular Formula: C8H5BrFN
Molecular Weight: 214.0344
MDL Number: MFCD18452117
SMILES: N#Cc1cc(Br)c(cc1F)C
Properties
Complexity: 186  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.8  
Downstream Synthesis Route
1269493-45-9    1628508-32-6 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG;XENONPHARMACEUTICALSINC-WO2014/144545,2014,A2Locationinpatent:Page/Pagecolumn56

[2]Focken,Thilo;Chowdhury,Sultan;Zenova,Alla;Grimwood,MichaelE.;Chabot,Christine;Sheng,Tao;Hemeon,Ivan;Decker,ShannonM.;Wilson,Michael;Bichler,Paul;Jia,Qi;Sun,Shaoyi;Young,Clint;Lin,Sophia;Goodchild,SamuelJ.;Shuart,NoahG.;Chang,Elaine;Xie,Zhiwei;Li,Bowen;Khakh,Kuldip;Bankar,Girish;Waldbrook,Matthew;Kwan,Rainbow;Nelkenbrecher,Karen;KarimiTari,Parisa;Chahal,Navjot;Sojo,Luis;Robinette,C.Lee;White,AndrewD.;Chen,Chien-An;Zhang,Yi;Pang,Jodie;Chang,JaeH.;Hackos,DavidH.;Johnson;Cohen,CharlesJ.;Ortwine,DanielF.;Sutherlin,DanielP.;Dehnhardt,ChristophM.;Safina,BrianS.[JournalofMedicinalChemistry,2018,vol.61,#11,p.4810-4831]

1269493-45-9    1628508-33-7 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG;XENONPHARMACEUTICALSINC-WO2014/144545,2014,A2

[2]Focken,Thilo;Chowdhury,Sultan;Zenova,Alla;Grimwood,MichaelE.;Chabot,Christine;Sheng,Tao;Hemeon,Ivan;Decker,ShannonM.;Wilson,Michael;Bichler,Paul;Jia,Qi;Sun,Shaoyi;Young,Clint;Lin,Sophia;Goodchild,SamuelJ.;Shuart,NoahG.;Chang,Elaine;Xie,Zhiwei;Li,Bowen;Khakh,Kuldip;Bankar,Girish;Waldbrook,Matthew;Kwan,Rainbow;Nelkenbrecher,Karen;KarimiTari,Parisa;Chahal,Navjot;Sojo,Luis;Robinette,C.Lee;White,AndrewD.;Chen,Chien-An;Zhang,Yi;Pang,Jodie;Chang,JaeH.;Hackos,DavidH.;Johnson;Cohen,CharlesJ.;Ortwine,DanielF.;Sutherlin,DanielP.;Dehnhardt,ChristophM.;Safina,BrianS.[JournalofMedicinalChemistry,2018,vol.61,#11,p.4810-4831]

1269493-45-9    1628508-34-8 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG;XENONPHARMACEUTICALSINC-WO2014/144545,2014,A2

[2]Focken,Thilo;Chowdhury,Sultan;Zenova,Alla;Grimwood,MichaelE.;Chabot,Christine;Sheng,Tao;Hemeon,Ivan;Decker,ShannonM.;Wilson,Michael;Bichler,Paul;Jia,Qi;Sun,Shaoyi;Young,Clint;Lin,Sophia;Goodchild,SamuelJ.;Shuart,NoahG.;Chang,Elaine;Xie,Zhiwei;Li,Bowen;Khakh,Kuldip;Bankar,Girish;Waldbrook,Matthew;Kwan,Rainbow;Nelkenbrecher,Karen;KarimiTari,Parisa;Chahal,Navjot;Sojo,Luis;Robinette,C.Lee;White,AndrewD.;Chen,Chien-An;Zhang,Yi;Pang,Jodie;Chang,JaeH.;Hackos,DavidH.;Johnson;Cohen,CharlesJ.;Ortwine,DanielF.;Sutherlin,DanielP.;Dehnhardt,ChristophM.;Safina,BrianS.[JournalofMedicinalChemistry,2018,vol.61,#11,p.4810-4831]

1269493-45-9    1628508-35-9 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG;XENONPHARMACEUTICALSINC-WO2014/144545,2014,A2

[2]Focken,Thilo;Chowdhury,Sultan;Zenova,Alla;Grimwood,MichaelE.;Chabot,Christine;Sheng,Tao;Hemeon,Ivan;Decker,ShannonM.;Wilson,Michael;Bichler,Paul;Jia,Qi;Sun,Shaoyi;Young,Clint;Lin,Sophia;Goodchild,SamuelJ.;Shuart,NoahG.;Chang,Elaine;Xie,Zhiwei;Li,Bowen;Khakh,Kuldip;Bankar,Girish;Waldbrook,Matthew;Kwan,Rainbow;Nelkenbrecher,Karen;KarimiTari,Parisa;Chahal,Navjot;Sojo,Luis;Robinette,C.Lee;White,AndrewD.;Chen,Chien-An;Zhang,Yi;Pang,Jodie;Chang,JaeH.;Hackos,DavidH.;Johnson;Cohen,CharlesJ.;Ortwine,DanielF.;Sutherlin,DanielP.;Dehnhardt,ChristophM.;Safina,BrianS.[JournalofMedicinalChemistry,2018,vol.61,#11,p.4810-4831]

1269493-45-9    1628507-94-7 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG;XENONPHARMACEUTICALSINC-WO2014/144545,2014,A2

[2]Focken,Thilo;Chowdhury,Sultan;Zenova,Alla;Grimwood,MichaelE.;Chabot,Christine;Sheng,Tao;Hemeon,Ivan;Decker,ShannonM.;Wilson,Michael;Bichler,Paul;Jia,Qi;Sun,Shaoyi;Young,Clint;Lin,Sophia;Goodchild,SamuelJ.;Shuart,NoahG.;Chang,Elaine;Xie,Zhiwei;Li,Bowen;Khakh,Kuldip;Bankar,Girish;Waldbrook,Matthew;Kwan,Rainbow;Nelkenbrecher,Karen;KarimiTari,Parisa;Chahal,Navjot;Sojo,Luis;Robinette,C.Lee;White,AndrewD.;Chen,Chien-An;Zhang,Yi;Pang,Jodie;Chang,JaeH.;Hackos,DavidH.;Johnson;Cohen,CharlesJ.;Ortwine,DanielF.;Sutherlin,DanielP.;Dehnhardt,ChristophM.;Safina,BrianS.[JournalofMedicinalChemistry,2018,vol.61,#11,p.4810-4831]

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