Cas no 372941-48-5 (1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile)

1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile structure
372941-48-5 structure
Product Name:1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile
CAS No:372941-48-5
MF:C15H8FNO2
MW:253.227927207947
CID:297899
PubChem ID:18761817
Update Time:2025-04-19

1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Isobenzofurancarbonitrile,1-(4-fluorophenyl)-1,3-dihydro-3-oxo-
    • 1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile
    • 1-(4-fluorophenyl)-3-oxo-1H-2-benzofuran-5-carbonitrile
    • AKOS027321252
    • 1-(4-fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzo[b]furancarbonitrile
    • SCHEMBL4620793
    • DTXSID90596048
    • 372941-48-5
    • 1-(4-Fluorophenyl)-3-oxo-1,3-dihydroisobenzofuran-5-carbonitrile
    • FT-0668689
    • VVXGNGGTQDOLGK-UHFFFAOYSA-N
    • 1-(4-Fluoro-phenyl)-3-oxo-1,3-dihydro-isobenzofuran-5-carbonitrile
    • 1-(4-Fluorophenyl)-3-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile
    • Inchi: 1S/C15H8FNO2/c16-11-4-2-10(3-5-11)14-12-6-1-9(8-17)7-13(12)15(18)19-14/h1-7,14H
    • InChI Key: VVXGNGGTQDOLGK-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)C1C2C=CC(C#N)=CC=2C(=O)O1

Computed Properties

  • Exact Mass: 253.05400
  • Monoisotopic Mass: 253.05390666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 1
  • Complexity: 408
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 50.1?2

Experimental Properties

  • Density: 1.39
  • Melting Point: 173-175?C
  • Boiling Point: 433.919°C at 760 mmHg
  • Flash Point: 216.227°C
  • Refractive Index: 1.634
  • PSA: 50.09000
  • LogP: 2.95718

1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile Pricemore >>

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