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

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

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250mg
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1g
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
3  
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