Cas no 89346-55-4 (2-(4-Fluorophenyl)benzonitrile)

2-(4-Fluorophenyl)benzonitrile structure
89346-55-4 structure
Product Name:2-(4-Fluorophenyl)benzonitrile
CAS No:89346-55-4
MF:C13H8FN
MW:197.207726478577
MDL:MFCD05979720
CID:1082490
PubChem ID:1393829
Update Time:2025-04-20

2-(4-Fluorophenyl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4'-Fluoro-[1,1'-biphenyl]-2-carbonitrile
    • 2-(4-fluorophenyl)benzonitrile
    • CS-0192103
    • BS-23927
    • 4'-fluoro-biphenyl-2-carbonitrile
    • E89813
    • FT-0686926
    • Q-103461
    • DTXSID40362710
    • SCHEMBL17955111
    • A847795
    • MFCD05979720
    • 89346-55-4
    • 4'-fluoro-1,1'-biphenyl-2-carbonitrile
    • AKOS002683304
    • DB-002136
    • 4'-fluoro-biphenyl-3-carbonitrile
    • 2-(4-Fluorophenyl)benzonitrile
    • MDL: MFCD05979720
    • Inchi: 1S/C13H8FN/c14-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-15/h1-8H
    • InChI Key: BAFJHQIZMFHPER-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)C1C=CC=CC=1C#N

Computed Properties

  • Exact Mass: 197.064077422g/mol
  • Monoisotopic Mass: 197.064077422g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 247
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.7
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • Density: 1.19±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 64-65 oC
  • Solubility: Almost insoluble (0.015 g/l) (25 o C),

2-(4-Fluorophenyl)benzonitrile Pricemore >>

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