ChemSpider 2D Image | Ethyl 5-bromo-1-isopropyl-1H-pyrazole-4-carboxylate | C9H13BrN2O2

Ethyl 5-bromo-1-isopropyl-1H-pyrazole-4-carboxylate

  • Molecular FormulaC9H13BrN2O2
  • Average mass261.116 Da
  • Monoisotopic mass260.016022 Da
  • ChemSpider ID29363105

More details:

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

1374257-90-5 [RN]
1H-Pyrazole-4-carboxylic acid, 5-bromo-1-(1-methylethyl)-, ethyl ester [ACD/Index Name]
5-Bromo-1-isopropyl-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-bromo-1-isopropyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-brom-1-isopropyl-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
5-Bromo-1-isopropyl-1H-pyrazole-4-carboxylic acid ethyl ester
ethyl 5-bromo-1-(propan-2-yl)-1H-pyrazole-4-carboxylate
ETHYL 5-BROMO-1-ISOPROPYLPYRAZOLE-4-CARBOXYLATE
ethyl 5-bromo-1-propan-2-ylpyrazole-4-carboxylate
MFCD25542291
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 305.9±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.6±3.0 kJ/mol
    Flash Point: 138.8±22.3 °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: 2.63
    ACD/LogD (pH 5.5): 2.57
    ACD/BCF (pH 5.5): 52.50
    ACD/KOC (pH 5.5): 592.81
    ACD/LogD (pH 7.4): 2.57
    ACD/BCF (pH 7.4): 52.50
    ACD/KOC (pH 7.4): 592.81
    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

    Click to predict properties on the Chemicalize site


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