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676494-55-6,MFCD11111105
Catalog No.:AA005QXX

676494-55-6 | 3-Fluoro-4-(4-formylphenoxy)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
in stock  
$321.00   $225.00
- +
1g
in stock  
$847.00   $593.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA005QXX
Chemical Name:
3-Fluoro-4-(4-formylphenoxy)benzonitrile
CAS Number:
676494-55-6
Molecular Formula:
C14H8FNO2
Molecular Weight:
241.2172
MDL Number:
MFCD11111105
SMILES:
O=Cc1ccc(cc1)Oc1ccc(cc1F)C#N
Properties
Properties
 
BP:
365.4±42.0 °C(Predicted)  

Computed Properties
 
Complexity:
330  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.7  

Downstream Synthesis Route

[1]Patent:US2018/148432,2018,A1.Locationinpatent:Paragraph0303;0304

[2]Patent:US2009/186873,2009,A1.Locationinpatent:Page/Pagecolumn5

[3]JournalofMedicinalChemistry,2011,vol.54,p.8000-8012

[1]Mitch,CharlesH.;Quimby,StevenJ.;Diaz,Nuria;Pedregal,Concepcion;DeLaTorre,MartaG.;Jimenez,Alma;Shi,Qing;Canada,EmilyJ.;Kahl,StevenD.;Statnick,MichaelA.;McKinzie,DavidL.;Benesh,DanaR.;Rash,KarenS.;Barth,VanessaN.[JournalofMedicinalChemistry,2011,vol.54,#23,p.8000-8012]

[1]Mitch,CharlesH.;Quimby,StevenJ.;Diaz,Nuria;Pedregal,Concepcion;DeLaTorre,MartaG.;Jimenez,Alma;Shi,Qing;Canada,EmilyJ.;Kahl,StevenD.;Statnick,MichaelA.;McKinzie,DavidL.;Benesh,DanaR.;Rash,KarenS.;Barth,VanessaN.[JournalofMedicinalChemistry,2011,vol.54,#23,p.8000-8012]

Literature
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SDS
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Tags:676494-55-6 Molecular Formula|676494-55-6 MDL|676494-55-6 SMILES|676494-55-6 3-Fluoro-4-(4-formylphenoxy)benzonitrile
Catalog No.: AA005QXX
676494-55-6,MFCD11111105
676494-55-6 | 3-Fluoro-4-(4-formylphenoxy)benzonitrile
Pack Size： 250mg
Purity：
in stock
$321.00 $225.00
Pack Size： 1g
Purity：
in stock
$847.00 $593.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA005QXX
Chemical Name: 3-Fluoro-4-(4-formylphenoxy)benzonitrile
CAS Number: 676494-55-6
Molecular Formula: C14H8FNO2
Molecular Weight: 241.2172
MDL Number: MFCD11111105
SMILES: O=Cc1ccc(cc1)Oc1ccc(cc1F)C#N
Properties
BP: 365.4±42.0 °C(Predicted)  
Complexity: 330  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.7  
Downstream Synthesis Route
64248-62-0    123-08-0    676494-55-6 

[1]Patent:US2018/148432,2018,A1.Locationinpatent:Paragraph0303;0304

[2]Patent:US2009/186873,2009,A1.Locationinpatent:Page/Pagecolumn5

[3]JournalofMedicinalChemistry,2011,vol.54,p.8000-8012

676494-55-6    1346133-11-6 

[1]Mitch,CharlesH.;Quimby,StevenJ.;Diaz,Nuria;Pedregal,Concepcion;DeLaTorre,MartaG.;Jimenez,Alma;Shi,Qing;Canada,EmilyJ.;Kahl,StevenD.;Statnick,MichaelA.;McKinzie,DavidL.;Benesh,DanaR.;Rash,KarenS.;Barth,VanessaN.[JournalofMedicinalChemistry,2011,vol.54,#23,p.8000-8012]

676494-55-6    1346133-12-7    1346133-11-6 

[1]Mitch,CharlesH.;Quimby,StevenJ.;Diaz,Nuria;Pedregal,Concepcion;DeLaTorre,MartaG.;Jimenez,Alma;Shi,Qing;Canada,EmilyJ.;Kahl,StevenD.;Statnick,MichaelA.;McKinzie,DavidL.;Benesh,DanaR.;Rash,KarenS.;Barth,VanessaN.[JournalofMedicinalChemistry,2011,vol.54,#23,p.8000-8012]

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