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

methyl 4-bromo-3-isobutyl-1H-pyrazole-5-carboxylate

  • Molecular FormulaC9H13BrN2O2
  • Average mass261.116 Da
  • Monoisotopic mass260.016022 Da
  • ChemSpider ID28943484

More details:

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

4-Bromo-3-isobutyl-1H-pyrazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl-4-brom-3-isobutyl-1H-pyrazol-5-carboxylat [German] [ACD/IUPAC Name]
1338077-71-6 [RN]
1H-Pyrazole-5-carboxylic acid, 4-bromo-3-(2-methylpropyl)-, methyl ester [ACD/Index Name]
methyl 4-bromo-3-(2-methylpropyl)-1H-pyrazole-5-carboxylate
Methyl 4-bromo-3-isobutyl-1H-pyrazole-5-carboxylate [ACD/IUPAC Name]
methyl 4-bromo-5-(2-methylpropyl)-1H-pyrazole-3-carboxylate
METHYL 4-BROMO-5-(2-METHYLPROPYL)-2H-PYRAZOLE-3-CARBOXYLATE
MFCD19691765 [MDL number]
VS-11787

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 364.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.1±3.0 kJ/mol
    Flash Point: 174.5±27.9 °C
    Index of Refraction: 1.542
    Molar Refractivity: 57.0±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): 717.76
    ACD/LogD (pH 7.4): 2.72
    ACD/BCF (pH 7.4): 68.50
    ACD/KOC (pH 7.4): 716.90
    Polar Surface Area: 55 Å2
    Polarizability: 22.6±0.5 10-24cm3
    Surface Tension: 45.2±3.0 dyne/cm
    Molar Volume: 181.3±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement