ChemSpider 2D Image | 1-Methyl-4-nitro-1H-imidazole-5-carbaldehyde | C5H5N3O3

1-Methyl-4-nitro-1H-imidazole-5-carbaldehyde

  • Molecular FormulaC5H5N3O3
  • Average mass155.111 Da
  • Monoisotopic mass155.033096 Da
  • ChemSpider ID24190232

More details:

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

1H-Imidazole-5-carboxaldehyde, 1-methyl-4-nitro- [ACD/Index Name]
1-Methyl-4-nitro-1H-imidazol-5-carbaldehyd [German] [ACD/IUPAC Name]
1-Methyl-4-nitro-1H-imidazole-5-carbaldehyde [ACD/IUPAC Name]
1-Méthyl-4-nitro-1H-imidazole-5-carbaldéhyde [French] [ACD/IUPAC Name]
85012-73-3 [RN]
1H-Imidazole-5-carboxaldehyde, 1-methyl-4-nitro- (9CI)
1H-IMIDAZOLE-5-CARBOXALDEHYDE,1-METHYL-4-NITRO-
1-methyl-4-nitro-1H-Imidazole-5-carboxaldehyde
3-Methyl-5-nitro-3H-imidazole-4-carbaldehyde
3-METHYL-5-NITROIMIDAZOLE-4-CARBALDEHYDE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 423.0±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.7±3.0 kJ/mol
    Flash Point: 209.6±24.6 °C
    Index of Refraction: 1.634
    Molar Refractivity: 36.4±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.70
    ACD/LogD (pH 5.5): -0.09
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 21.33
    ACD/LogD (pH 7.4): -0.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 21.33
    Polar Surface Area: 81 Å2
    Polarizability: 14.4±0.5 10-24cm3
    Surface Tension: 66.2±7.0 dyne/cm
    Molar Volume: 101.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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