Cas no 31366-38-8 (Benzoic acid, 4-amino-,4-nitrophenyl ester)

Benzoic acid, 4-amino-,4-nitrophenyl ester structure
31366-38-8 structure
Product Name:Benzoic acid, 4-amino-,4-nitrophenyl ester
CAS No:31366-38-8
MF:C13H10N2O4
MW:258.229503154755
MDL:MFCD01365705
CID:308663
PubChem ID:294758
Update Time:2025-11-06

Benzoic acid, 4-amino-,4-nitrophenyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-amino-,4-nitrophenyl ester
    • (4-nitrophenyl) 4-aminobenzoate
    • 4-nitrophenyl 4-aminobenzoate
    • AC1L6MM4
    • NSC163802
    • p-nitrophenyl p-aminobenzoate
    • NSC-163802
    • SMR000528678
    • DTXSID60303963
    • CHEMBL1403316
    • MLS000756322
    • 31366-38-8
    • MDL: MFCD01365705
    • Inchi: 1S/C13H10N2O4/c14-10-3-1-9(2-4-10)13(16)19-12-7-5-11(6-8-12)15(17)18/h1-8H,14H2
    • InChI Key: IDQAOTGARKTEOL-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC(=CC=1)N)=O)C1C=CC(=CC=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 258.0641
  • Monoisotopic Mass: 258.064057
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 326
  • 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: 2.7
  • Topological Polar Surface Area: 98.1

Experimental Properties

  • Density: 1.381
  • Boiling Point: 481.5°Cat760mmHg
  • Flash Point: 245°C
  • Refractive Index: 1.655
  • PSA: 95.46

Benzoic acid, 4-amino-,4-nitrophenyl ester Pricemore >>

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