Cas no 16927-49-4 (3-nitro-4-(phenylamino)benzoic acid)

3-nitro-4-(phenylamino)benzoic acid structure
16927-49-4 structure
Product Name:3-nitro-4-(phenylamino)benzoic acid
CAS No:16927-49-4
MF:C13H10N2O4
MW:258.229503154755
MDL:MFCD00437310
CID:213630
PubChem ID:3824366
Update Time:2025-04-19

3-nitro-4-(phenylamino)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Anilino-3-nitrobenzoic acid
    • Benzoic acid,3-nitro-4-(phenylamino)-
    • 2-Nitro-diphenylamin-carbonsaeure-(4)
    • 2-nitrodiphenylamine-4-carboxylic acid
    • 3-nitro-4-(phenylamino)benzoic acid
    • 3-nitro-4-phenylaminobenzoic acid
    • 3-nitro-4-phenylamino-benzoic acid
    • 4-Anilino-3-nitro-benzoesaeure
    • 4-anilino-3-nitro-benzoic acid
    • AC1MY0KV
    • AC1Q72SH
    • CHEMBL237296
    • CTK4D3250
    • F2158-0870
    • Oprea1_851763
    • SureCN2338616
    • 16927-49-4
    • CS-0233014
    • UGUUCNPLYAGMNG-UHFFFAOYSA-N
    • DTXSID40396914
    • 3-nitro-4-(phenylazaniumyl)benzoate
    • MFCD00437310
    • Z55982605
    • 4-ANILINO-3-NITROBENZOICACID
    • EN300-13010
    • VS-01414
    • SB81949
    • FT-0681528
    • NCGC00335924-01
    • 3-Nitro-4-(phenylamino)-benzoic acid
    • J-512962
    • SCHEMBL2338616
    • AB01103106-03
    • AKOS000215624
    • BBL003745
    • STK095928
    • G76085
    • MDL: MFCD00437310
    • Inchi: 1S/C13H10N2O4/c16-13(17)9-6-7-11(12(8-9)15(18)19)14-10-4-2-1-3-5-10/h1-8,14H,(H,16,17)
    • InChI Key: UGUUCNPLYAGMNG-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC(=C(C=1)[N+](=O)[O-])NC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 257.05627
  • Monoisotopic Mass: 258.06405680g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 336
  • 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: 95.2?2

Experimental Properties

  • PSA: 95.3

3-nitro-4-(phenylamino)benzoic acid Security Information

  • HazardClass:IRRITANT

3-nitro-4-(phenylamino)benzoic acid Pricemore >>

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