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959961-65-0,MFCD12032287
Catalog No.:AA00IJMY

959961-65-0 | 2-Bromo-1-fluoro-4-methanesulfonylbenzene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
96%
in stock  
$162.00   $114.00
- +
1g
96%
in stock  
$408.00   $286.00
- +
5g
96%
in stock  
$1,202.00   $842.00
- +
10g
96%
in stock  
$1,918.00 $1,343.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IJMY
Chemical Name:
2-Bromo-1-fluoro-4-methanesulfonylbenzene
CAS Number:
959961-65-0
Molecular Formula:
C7H6BrFO2S
Molecular Weight:
253.0887
MDL Number:
MFCD12032287
SMILES:
Fc1ccc(cc1Br)S(=O)(=O)C
Properties
Computed Properties
 
Complexity:
247  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2  

Downstream Synthesis Route

[1]Zhao,Leilei;Yang,Yifei;Guo,Yahui;Yang,Lingyun;Zhang,Jian;Zhou,Jinpei;Zhang,Huibin[BioorganicandMedicinalChemistry,2017,vol.25,#8,p.2482-2490]

[2]CurrentPatentAssignee:ABBVIEINC-US2014/256705,2014,A1Locationinpatent:Paragraph0627

[3]CurrentPatentAssignee:ABBVIEINC-US2014/275026,2014,A1Locationinpatent:Paragraph0893

[4]Hasvold,LisaA.;Sheppard,GeorgeS.;Wang,Le;Fidanze,StevenD.;Liu,Dachun;Pratt,JohnK.;Mantei,RobertA.;Wada,CarolK.;Hubbard,Robbert;Shen,Yu;Lin,Xiaoyu;Huang,Xiaoli;Warder,ScottE.;Wilcox,Denise;Li,Leiming;Buchanan,F.Greg;Smithee,Lauren;Albert,DanielH.;Magoc,TerranceJ.;Park,ChangH.;Petros,AndrewM.;Panchal,SanjayC.;Sun,Chaohong;Kovar,Peter;Soni,NirupamaB.;Elmore,StevenW.;Kati,WarrenM.;McDaniel,KeithF.[BioorganicandMedicinalChemistryLetters,2017,vol.27,#10,p.2225-2233]

[5]Liu,Xueting;Wu,Zhenwei;Tian,Jiping;Yuan,Xinrui;Zhao,Leilei;Chen,Pan;Zhang,Huibin;Zhou,Jinpei[MedicinalChemistryResearch,2018,vol.27,#9,p.2089-2099]

Literature
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SDS
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Tags:959961-65-0 Molecular Formula|959961-65-0 MDL|959961-65-0 SMILES|959961-65-0 2-Bromo-1-fluoro-4-methanesulfonylbenzene
Catalog No.: AA00IJMY
959961-65-0,MFCD12032287
959961-65-0 | 2-Bromo-1-fluoro-4-methanesulfonylbenzene
Pack Size： 250mg
Purity： 96%
in stock
$162.00 $114.00
Pack Size： 1g
Purity： 96%
in stock
$408.00 $286.00
Pack Size： 5g
Purity： 96%
in stock
$1,202.00 $842.00
Pack Size： 10g
Purity： 96%
in stock
$1,918.00 $1,343.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00IJMY
Chemical Name: 2-Bromo-1-fluoro-4-methanesulfonylbenzene
CAS Number: 959961-65-0
Molecular Formula: C7H6BrFO2S
Molecular Weight: 253.0887
MDL Number: MFCD12032287
SMILES: Fc1ccc(cc1Br)S(=O)(=O)C
Properties
Complexity: 247  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2  
Downstream Synthesis Route
959961-65-0    73183-34-3    1627596-00-2 

[1]Zhao,Leilei;Yang,Yifei;Guo,Yahui;Yang,Lingyun;Zhang,Jian;Zhou,Jinpei;Zhang,Huibin[BioorganicandMedicinalChemistry,2017,vol.25,#8,p.2482-2490]

[2]CurrentPatentAssignee:ABBVIEINC-US2014/256705,2014,A1Locationinpatent:Paragraph0627

[3]CurrentPatentAssignee:ABBVIEINC-US2014/275026,2014,A1Locationinpatent:Paragraph0893

[4]Hasvold,LisaA.;Sheppard,GeorgeS.;Wang,Le;Fidanze,StevenD.;Liu,Dachun;Pratt,JohnK.;Mantei,RobertA.;Wada,CarolK.;Hubbard,Robbert;Shen,Yu;Lin,Xiaoyu;Huang,Xiaoli;Warder,ScottE.;Wilcox,Denise;Li,Leiming;Buchanan,F.Greg;Smithee,Lauren;Albert,DanielH.;Magoc,TerranceJ.;Park,ChangH.;Petros,AndrewM.;Panchal,SanjayC.;Sun,Chaohong;Kovar,Peter;Soni,NirupamaB.;Elmore,StevenW.;Kati,WarrenM.;McDaniel,KeithF.[BioorganicandMedicinalChemistryLetters,2017,vol.27,#10,p.2225-2233]

[5]Liu,Xueting;Wu,Zhenwei;Tian,Jiping;Yuan,Xinrui;Zhao,Leilei;Chen,Pan;Zhang,Huibin;Zhou,Jinpei[MedicinalChemistryResearch,2018,vol.27,#9,p.2089-2099]

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