Cas no 453-21-4 (4-Nitro-3-fluorobenzoic acid)

4-Nitro-3-fluorobenzoic acid structure
4-Nitro-3-fluorobenzoic acid structure
Product Name:4-Nitro-3-fluorobenzoic acid
CAS No:453-21-4
MF:C7H4FNO4
MW:185.109365463257
CID:328159
PubChem ID:230653
Update Time:2025-04-19

4-Nitro-3-fluorobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Nitro-3-fluorobenzoic acid
    • SCHEMBL6238
    • J-512503
    • Benzoic acid, 3-fluoro-4-nitro-
    • FT-0651754
    • AKOS015967181
    • 4-Nitro-3-fluoro benzoic acid
    • F0670
    • 3-Fluoro-4-nitrobenzoic acid, AldrichCPR
    • 3-fluoro-4-nitroberizoic acid
    • 3-fluoro-4-nitrobenzoicacid
    • SY003335
    • 3-fluoro 4-nitro benzoic acid
    • 3-fluoro-4-nitrobenzene carboxylic acid
    • AM20040413
    • 11P-237
    • 453-21-4
    • AC-2917
    • 3-FLUORO-4-NITROBENZENECARBOXYLICACID
    • NSC25749
    • DTXSID60960737
    • 3-fluoro-4-nitrobenzenecarboxylic acid
    • MFCD01862092
    • BP-13090
    • NSC-25749
    • EN300-64892
    • 3-Fluoro-4-nitro-benzoic acid
    • WVZBIQSKLXJFNX-UHFFFAOYSA-N
    • 3-Fluor-4-nitro-benzoesaure
    • A6749
    • FT-0650464
    • 3-Fluoro-4-nitrobenzoic acid
    • AKOS005069496
    • 403-21-4
    • Z995046708
    • CL4111
    • 3-fluoro-4-nitro benzoic acid
    • CS-D1499
    • Inchi: 1S/C7H4FNO4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,(H,10,11)
    • InChI Key: WVZBIQSKLXJFNX-UHFFFAOYSA-N
    • SMILES: FC1C=C(C(=O)O)C=CC=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 185.01242
  • Monoisotopic Mass: 185.012
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 227
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 83.1A^2

Experimental Properties

  • Density: 1.568
  • Boiling Point: 372.8 °C at 760 mmHg
  • Flash Point: 179.3 °C
  • PSA: 80.44
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