Cas no 669002-37-3 (4-(4-Fluorophenyl)-2-nitrobenzoic acid)

4-(4-Fluorophenyl)-2-nitrobenzoic acid is a fluorinated nitroaromatic compound with a carboxylic acid functional group, making it a versatile intermediate in organic synthesis. Its molecular structure, featuring both electron-withdrawing (nitro and fluorine) and electron-donating (carboxylic acid) groups, allows for selective reactivity in cross-coupling reactions, nucleophilic substitutions, and other transformations. This compound is particularly useful in pharmaceutical and agrochemical research, where its fluorophenyl moiety can enhance bioavailability and metabolic stability. The nitro group further enables reduction to amines or participation in cyclization reactions. High purity and consistent quality ensure reliable performance in synthetic applications.
4-(4-Fluorophenyl)-2-nitrobenzoic acid structure
669002-37-3 structure
Product Name:4-(4-Fluorophenyl)-2-nitrobenzoic acid
CAS No:669002-37-3
MF:C13H8FNO4
MW:261.205327033997
MDL:MFCD14700016
CID:2620655
PubChem ID:46313090
Update Time:2025-10-13

4-(4-Fluorophenyl)-2-nitrobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • SCHEMBL5196091
    • 4'-Fluoro-3-nitro-[1,1'-biphenyl]-4-carboxylic acid
    • [1,1'-Biphenyl]-4-carboxylic acid, 4'-fluoro-3-nitro-
    • 4'-fluoro-3-nitro-biphenyl-4-carboxylic acid
    • A1-55005
    • 4-(4-FLUOROPHENYL)-2-NITROBENZOIC ACID
    • 4-(4-Fluorophenyl)-2-nitrobenzoic acid, 95%
    • 669002-37-3
    • 4'-Fluoro-3-nitro-4-biphenylcarboxylic acid
    • JMMQMFGFGFLREH-UHFFFAOYSA-N
    • 4'-Fluoro-3-nitro[1,1'-biphenyl]-4-carboxylic acid
    • 4'-Fluoro-3-nitro-[1,1'-biphenyl]-4-carboxylicacid
    • MFCD14700016
    • DTXSID30673408
    • 4-(4-Fluorophenyl)-2-nitrobenzoic acid
    • MDL: MFCD14700016
    • Inchi: 1S/C13H8FNO4/c14-10-4-1-8(2-5-10)9-3-6-11(13(16)17)12(7-9)15(18)19/h1-7H,(H,16,17)
    • InChI Key: JMMQMFGFGFLREH-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)C1C=CC(C(=O)O)=C(C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 261.04373590Da
  • Monoisotopic Mass: 261.04373590Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 349
  • 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
  • Topological Polar Surface Area: 83.1?2

4-(4-Fluorophenyl)-2-nitrobenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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