ChemSpider 2D Image | Methyl 4-bromo-1H-imidazole-5-carboxylate | C5H5BrN2O2

Methyl 4-bromo-1H-imidazole-5-carboxylate

  • Molecular FormulaC5H5BrN2O2
  • Average mass205.009 Da
  • Monoisotopic mass203.953430 Da
  • ChemSpider ID26518003

More details:

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

1093261-46-1 [RN]
1H-Imidazole-4-carboxylic acid, 5-bromo-, methyl ester [ACD/Index Name]
4-Bromo-1H-imidazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-bromo-1H-imidazole-5-carboxylate [ACD/IUPAC Name]
Methyl-4-brom-1H-imidazol-5-carboxylat [German] [ACD/IUPAC Name]
[1093261-46-1] [RN]
5-Bromo-3H-imidazole-4-carboxylic acid methyl ester
methyl5-bromo-1h-imidazole-4-carboxylate
METHYL-5-BROMO-1H-IMIDAZOLE-4-CARBOXYLATE
MFCD21364526
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point: 367.5±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.4±3.0 kJ/mol
    Flash Point: 176.0±22.3 °C
    Index of Refraction: 1.579
    Molar Refractivity: 38.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.77
    ACD/LogD (pH 5.5): 1.00
    ACD/BCF (pH 5.5): 3.42
    ACD/KOC (pH 5.5): 83.86
    ACD/LogD (pH 7.4): 0.94
    ACD/BCF (pH 7.4): 2.94
    ACD/KOC (pH 7.4): 72.08
    Polar Surface Area: 55 Å2
    Polarizability: 15.2±0.5 10-24cm3
    Surface Tension: 57.2±3.0 dyne/cm
    Molar Volume: 115.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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