Found 174 results

Search term: MF = 'C_{5}H_{5}N_{3}O_{4}'
ChemSpider 2D Image | 1-Methyl-2-nitro-1H-imidazole-5-carboxylic acid | C5H5N3O4

1-Methyl-2-nitro-1H-imidazole-5-carboxylic acid

  • Molecular FormulaC5H5N3O4
  • Average mass171.111 Da
  • Monoisotopic mass171.028000 Da
  • ChemSpider ID28537186

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Imidazole-5-carboxylic acid, 1-methyl-2-nitro- [ACD/Index Name]
1-Methyl-2-nitro-1H-imidazol-5-carbonsäure [German] [ACD/IUPAC Name]
1-Methyl-2-nitro-1H-imidazole-5-carboxylic acid [ACD/IUPAC Name]
50700-55-5 [RN]
Acide 1-méthyl-2-nitro-1H-imidazole-5-carboxylique [French] [ACD/IUPAC Name]
[50700-55-5] [RN]
1-Methyl-2-nitro-1H-imidazole-5-carboxylicacid
3-Methyl-2-nitroimidazole-4-carboxylic acid
CS-13324
MFCD19443277 [MDL number]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 493.9±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.2±3.0 kJ/mol
    Flash Point: 252.5±26.5 °C
    Index of Refraction: 1.675
    Molar Refractivity: 37.2±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.37
    ACD/LogD (pH 5.5): -2.40
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.90
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 101 Å2
    Polarizability: 14.8±0.5 10-24cm3
    Surface Tension: 79.5±7.0 dyne/cm
    Molar Volume: 99.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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