ChemSpider 2D Image | methyl 4-bromo-2-ethylpyrazole-3-carboxylate | C7H9BrN2O2

methyl 4-bromo-2-ethylpyrazole-3-carboxylate

  • Molecular FormulaC7H9BrN2O2
  • Average mass233.063 Da
  • Monoisotopic mass231.984726 Da
  • ChemSpider ID23041510

More details:

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

1185320-26-6 [RN]
1H-Pyrazole-5-carboxylic acid, 4-bromo-1-ethyl-, methyl ester [ACD/Index Name]
4-Bromo-1-éthyl-1H-pyrazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-bromo-1-ethyl-1H-pyrazole-5-carboxylate [ACD/IUPAC Name]
methyl 4-bromo-2-ethylpyrazole-3-carboxylate
Methyl-4-brom-1-ethyl-1H-pyrazol-5-carboxylat [German] [ACD/IUPAC Name]
MFCD12827498 [MDL number]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 288.9±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.8±3.0 kJ/mol
    Flash Point: 128.5±21.8 °C
    Index of Refraction: 1.578
    Molar Refractivity: 48.7±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.18
    ACD/LogD (pH 5.5): 1.78
    ACD/BCF (pH 5.5): 13.19
    ACD/KOC (pH 5.5): 220.56
    ACD/LogD (pH 7.4): 1.78
    ACD/BCF (pH 7.4): 13.19
    ACD/KOC (pH 7.4): 220.56
    Polar Surface Area: 44 Å2
    Polarizability: 19.3±0.5 10-24cm3
    Surface Tension: 43.5±7.0 dyne/cm
    Molar Volume: 146.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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