Cas no 351990-51-7 (5-Nitro-1H-imidazole-2-carboxylic acid)

5-Nitro-1H-imidazole-2-carboxylic acid structure
351990-51-7 structure
Product Name:5-Nitro-1H-imidazole-2-carboxylic acid
CAS No:351990-51-7
MF:C4H3N3O4
MW:157.084320306778
MDL:MFCD18808542
CID:1017204
PubChem ID:4424209
Update Time:2025-04-20

5-Nitro-1H-imidazole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Nitro-1H-imidazole-2-carboxylic acid
    • 1H-Imidazole-2-carboxylicacid,4-nitro-(9CI)
    • nitroimidazolecarboxylic
    • Oprea1_800776
    • 5-nitroimidazole-2-carboxylic acid
    • 4355AB
    • STK343770
    • FCH3704634
    • AK100979
    • AX8241882
    • ST24024162
    • ST50708147
    • SCHEMBL665096
    • O11480
    • SCHEMBL23849277
    • 5-nitro-1H-imidazole-2-carboxylicacid
    • AKOS025394643
    • DS-3660
    • DTXSID70403145
    • AKOS003235575
    • 4-NITRO-1H-IMIDAZOLE-2-CARBOXYLIC ACID
    • 351990-51-7
    • CS-0157304
    • MDL： MFCD18808542
    • Inchi： 1S/C4H3N3O4/c8-4(9)3-5-1-2(6-3)7(10)11/h1H,(H,5,6)(H,8,9)
    • InChI Key： LNPSXTPPQBEISL-UHFFFAOYSA-N
    • SMILES： OC(C1=NC=C([N+](=O)[O-])N1)=O

Computed Properties

  • Exact Mass: 157.01235559g/mol
  • Monoisotopic Mass: 157.01235559g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 188
  • 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: 112
  • XLogP3: 0.1

Experimental Properties

  • Density: 1.8±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 533.8±42.0°C at 760 mmHg
  • Flash Point: 276.6±27.9 °C
  • Vapor Pressure: 0.0±1.5 mmHg at 25°C

5-Nitro-1H-imidazole-2-carboxylic acid Security Information

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