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

Ethyl 4-bromo-3-isopropyl-1H-pyrazole-5-carboxylate

  • Molecular FormulaC9H13BrN2O2
  • Average mass261.116 Da
  • Monoisotopic mass260.016022 Da
  • ChemSpider ID28942896

More details:

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

1354830-66-2 [RN]
1H-Pyrazole-5-carboxylic acid, 4-bromo-3-(1-methylethyl)-, ethyl ester [ACD/Index Name]
4-Bromo-3-isopropyl-1H-pyrazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
ETHYL 4-BROMO-3-(PROPAN-2-YL)-1H-PYRAZOLE-5-CARBOXYLATE
Ethyl 4-bromo-3-isopropyl-1H-pyrazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-4-brom-3-isopropyl-1H-pyrazol-5-carboxylat [German] [ACD/IUPAC Name]
4-Bromo-5-isopropyl-2H-pyrazole-3-carboxylic acid ethyl ester
AKOS015997225
AKOS022107712
BBL033621
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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: 358.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.4±3.0 kJ/mol
    Flash Point: 170.5±27.9 °C
    Index of Refraction: 1.541
    Molar Refractivity: 57.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.67
    ACD/LogD (pH 5.5): 2.72
    ACD/BCF (pH 5.5): 68.58
    ACD/KOC (pH 5.5): 717.75
    ACD/LogD (pH 7.4): 2.72
    ACD/BCF (pH 7.4): 68.44
    ACD/KOC (pH 7.4): 716.26
    Polar Surface Area: 55 Å2
    Polarizability: 22.6±0.5 10-24cm3
    Surface Tension: 45.3±3.0 dyne/cm
    Molar Volume: 181.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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