ChemSpider 2D Image | Ethyl 4-bromo-3-ethyl-1-methyl-1H-pyrazole-5-carboxylate | C9H13BrN2O2

Ethyl 4-bromo-3-ethyl-1-methyl-1H-pyrazole-5-carboxylate

  • Molecular FormulaC9H13BrN2O2
  • Average mass261.116 Da
  • Monoisotopic mass260.016022 Da
  • ChemSpider ID26464337

More details:

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

128537-28-0 [RN]
1H-Pyrazole-5-carboxylic acid, 4-bromo-3-ethyl-1-methyl-, ethyl ester [ACD/Index Name]
4-Bromo-3-éthyl-1-méthyl-1H-pyrazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Bromo-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid ethyl ester
Ethyl 4-bromo-3-ethyl-1-methyl-1H-pyrazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-4-brom-3-ethyl-1-methyl-1H-pyrazol-5-carboxylat [German] [ACD/IUPAC Name]
4-bromo-5-ethyl-2-methyl-3-pyrazolecarboxylic acid ethyl ester
ETHYL 4-BROMO-5-ETHYL-2-METHYLPYRAZOLE-3-CARBOXYLATE
MFCD08459053

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 333.5±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.6±3.0 kJ/mol
    Flash Point: 155.5±27.9 °C
    Index of Refraction: 1.561
    Molar Refractivity: 57.7±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.17
    ACD/LogD (pH 5.5): 2.51
    ACD/BCF (pH 5.5): 47.65
    ACD/KOC (pH 5.5): 553.06
    ACD/LogD (pH 7.4): 2.51
    ACD/BCF (pH 7.4): 47.65
    ACD/KOC (pH 7.4): 553.06
    Polar Surface Area: 44 Å2
    Polarizability: 22.9±0.5 10-24cm3
    Surface Tension: 39.5±7.0 dyne/cm
    Molar Volume: 178.2±7.0 cm3

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