ChemSpider 2D Image | Methyl 4-bromo-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazole-5-carboxylate | C10H13BrN2O3

Methyl 4-bromo-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazole-5-carboxylate

  • Molecular FormulaC10H13BrN2O3
  • Average mass289.126 Da
  • Monoisotopic mass288.010956 Da
  • ChemSpider ID64855464

More details:

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

1H-Imidazole-5-carboxylic acid, 4-bromo-2-(tetrahydro-2H-pyran-4-yl)-, methyl ester [ACD/Index Name]
4-Bromo-2-(tétrahydro-2H-pyran-4-yl)-1H-imidazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-bromo-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazole-5-carboxylate [ACD/IUPAC Name]
Methyl-4-brom-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-carboxylat [German] [ACD/IUPAC Name]
2177259-01-5 [RN]
methyl 4-bromo-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazole-5-carboxylate(WXC05825)
methyl 5-bromo-2-(oxan-4-yl)-1H-imidazole-4-carboxylate

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 479.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.3±3.0 kJ/mol
    Flash Point: 243.6±28.7 °C
    Index of Refraction: 1.566
    Molar Refractivity: 61.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.46
    ACD/LogD (pH 5.5): 1.56
    ACD/BCF (pH 5.5): 9.07
    ACD/KOC (pH 5.5): 168.68
    ACD/LogD (pH 7.4): 1.56
    ACD/BCF (pH 7.4): 8.95
    ACD/KOC (pH 7.4): 166.52
    Polar Surface Area: 64 Å2
    Polarizability: 24.2±0.5 10-24cm3
    Surface Tension: 53.8±3.0 dyne/cm
    Molar Volume: 187.3±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement