ChemSpider 2D Image | Ethyl 2-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoate | C9H13BrN2O2

Ethyl 2-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoate

  • Molecular FormulaC9H13BrN2O2
  • Average mass261.116 Da
  • Monoisotopic mass260.016022 Da
  • ChemSpider ID35293994

More details:

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

1040377-17-0 [RN]
1H-Pyrazole-1-acetic acid, 4-bromo-α,α-dimethyl-, ethyl ester [ACD/Index Name]
2-(4-Bromo-1H-pyrazol-1-yl)-2-méthylpropanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoate [ACD/IUPAC Name]
Ethyl-2-(4-brom-1H-pyrazol-1-yl)-2-methylpropanoat [German] [ACD/IUPAC Name]
[1040377-17-0] [RN]
1H-Pyrazole-1-acetic acid, 4-bromo-??,??-dimethyl-, ethyl ester
2-(4-Bromo-pyrazol-1-yl)-2-methyl-propionic acid ethyl ester
Ethyl 2-(4-bromo-1H-prazol-1-yl)-2-methylpropanoate
ETHYL 2-(4-BROMOPYRAZOL-1-YL)-2-METHYLPROPANOATE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 310.1±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.1±3.0 kJ/mol
    Flash Point: 141.4±22.3 °C
    Index of Refraction: 1.547
    Molar Refractivity: 58.3±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.62
    ACD/LogD (pH 5.5): 2.73
    ACD/BCF (pH 5.5): 69.61
    ACD/KOC (pH 5.5): 725.43
    ACD/LogD (pH 7.4): 2.73
    ACD/BCF (pH 7.4): 69.61
    ACD/KOC (pH 7.4): 725.43
    Polar Surface Area: 44 Å2
    Polarizability: 23.1±0.5 10-24cm3
    Surface Tension: 40.0±7.0 dyne/cm
    Molar Volume: 183.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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