Cas no 811788-85-9 (Benzoic acid, 3-fluoro-4-nitro-, phenylmethyl ester)

Benzoic acid, 3-fluoro-4-nitro-, phenylmethyl ester structure
811788-85-9 structure
Product Name:Benzoic acid, 3-fluoro-4-nitro-, phenylmethyl ester
CAS No:811788-85-9
MF:C14H10FNO4
MW:275.231907367706
CID:4198136
PubChem ID:17985978
Update Time:2025-04-24

Benzoic acid, 3-fluoro-4-nitro-, phenylmethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-fluoro-4-nitro-, phenylmethyl ester
    • BENZYL 3-FLUORO-4-NITROBENZOATE
    • MFCD15142973
    • Phenylmethyl 3-fluoro-4-nitrobenzoate
    • BENZYL3-FLUORO-4-NITROBENZOATE
    • JFWMWZBKNHKDKS-UHFFFAOYSA-N
    • DB-213534
    • 811788-85-9
    • SCHEMBL1978714
    • AKOS012420113
    • Inchi: 1S/C14H10FNO4/c15-12-8-11(6-7-13(12)16(18)19)14(17)20-9-10-4-2-1-3-5-10/h1-8H,9H2
    • InChI Key: JFWMWZBKNHKDKS-UHFFFAOYSA-N
    • SMILES: FC1=C(C=CC(C(=O)OCC2C=CC=CC=2)=C1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 275.05938596g/mol
  • Monoisotopic Mass: 275.05938596g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 352
  • 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: 3.2
  • Topological Polar Surface Area: 72.1?2

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