ChemSpider 2D Image | 2-Bromo-1-methyl-1H-imidazole-4-carboxylic acid | C5H5BrN2O2

2-Bromo-1-methyl-1H-imidazole-4-carboxylic acid

  • Molecular FormulaC5H5BrN2O2
  • Average mass205.009 Da
  • Monoisotopic mass203.953430 Da
  • ChemSpider ID22547518

More details:

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

1H-Imidazole-4-carboxylic acid, 2-bromo-1-methyl- [ACD/Index Name]
2-Brom-1-methyl-1H-imidazol-4-carbonsäure [German] [ACD/IUPAC Name]
2-Bromo-1-methyl-1H-imidazole-4-carboxylic acid [ACD/IUPAC Name]
852181-03-4 [RN]
Acide 2-bromo-1-méthyl-1H-imidazole-4-carboxylique [French] [ACD/IUPAC Name]
2-bromo-1-methylimidazole-4-carboxylic acid
DS-19086
MFCD11100079 [MDL number]

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 412.3±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.1±3.0 kJ/mol
    Flash Point: 203.1±26.5 °C
    Index of Refraction: 1.659
    Molar Refractivity: 39.1±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.89
    ACD/LogD (pH 5.5): -0.41
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.70
    ACD/LogD (pH 7.4): -1.80
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 55 Å2
    Polarizability: 15.5±0.5 10-24cm3
    Surface Tension: 58.8±7.0 dyne/cm
    Molar Volume: 106.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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