Cas no 1214352-57-4 (3-fluoro-5-phenylbenzonitrile)

3-fluoro-5-phenylbenzonitrile structure
3-fluoro-5-phenylbenzonitrile structure
Product Name:3-fluoro-5-phenylbenzonitrile
CAS No:1214352-57-4
MF:C13H8FN
MW:197.207726478577
CID:2617594
PubChem ID:46314740
Update Time:2025-04-21

3-fluoro-5-phenylbenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-fluoro-5-phenylbenzonitrile
    • 5-FLUORO-[1,1'-BIPHENYL]-3-CARBONITRILE
    • 1214352-57-4
    • BS-20930
    • CS-0211616
    • SCHEMBL3276483
    • [1,1'-Biphenyl]-3-carbonitrile, 5-fluoro-
    • 5-Fluoro[1,1'-biphenyl]-3-carbonitrile
    • DTXSID30673488
    • Inchi: 1S/C13H8FN/c14-13-7-10(9-15)6-12(8-13)11-4-2-1-3-5-11/h1-8H
    • InChI Key: CWWIHXBPWBQZNC-UHFFFAOYSA-N
    • SMILES: FC1C=C(C#N)C=C(C=1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 197.06400
  • Monoisotopic Mass: 197.064
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 249
  • 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
  • Topological Polar Surface Area: 23.8A^2
  • XLogP3: 3.4

Experimental Properties

  • PSA: 23.79000
  • LogP: 3.36438

3-fluoro-5-phenylbenzonitrile Pricemore >>

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