Cas no 887244-17-9 (4-(3-fluorophenyl)-2-nitrobenzoic acid)

4-(3-fluorophenyl)-2-nitrobenzoic acid structure
887244-17-9 structure
Product Name:4-(3-fluorophenyl)-2-nitrobenzoic acid
CAS No:887244-17-9
MF:C13H8FNO4
MW:261.205327033997
MDL:MFCD14700015
CID:2620684
PubChem ID:46313089
Update Time:2025-04-21

4-(3-fluorophenyl)-2-nitrobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(3-fluorophenyl)-2-nitrobenzoic acid
    • 3'-fluoro-3-nitro-4-biphenylcarboxylic acid;
    • 4-(3-FLUOROPHENYL)-2-NITROBENZOICACID
    • OMNHCDRYKAFBCX-UHFFFAOYSA-N
    • BS-33012
    • SCHEMBL5195739
    • DTXSID70673407
    • 887244-17-9
    • 3'-Fluoro-3-nitro[1,1'-biphenyl]-4-carboxylic acid
    • MFCD14700015
    • 3'-Fluoro-3-nitro-4-biphenylcarboxylic acid
    • MDL: MFCD14700015
    • Inchi: 1S/C13H8FNO4/c14-10-3-1-2-8(6-10)9-4-5-11(13(16)17)12(7-9)15(18)19/h1-7H,(H,16,17)
    • InChI Key: OMNHCDRYKAFBCX-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1)C1C=CC(C(=O)O)=C(C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 261.04400
  • Monoisotopic Mass: 261.044
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 357
  • 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: 83.1A^2
  • XLogP3: 3

Experimental Properties

  • PSA: 83.12000
  • LogP: 3.62230

4-(3-fluorophenyl)-2-nitrobenzoic acid Pricemore >>

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4-(3-fluorophenyl)-2-nitrobenzoic acid Production Method

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