ChemSpider 2D Image | 4-Bromo-3-isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid | C9H13BrN2O2

4-Bromo-3-isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid

  • Molecular FormulaC9H13BrN2O2
  • Average mass261.116 Da
  • Monoisotopic mass260.016022 Da
  • ChemSpider ID26465207

More details:

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

1020722-62-6 [RN]
1H-Pyrazole-5-carboxylic acid, 4-bromo-1-methyl-3-(2-methylpropyl)- [ACD/Index Name]
4-Brom-3-isobutyl-1-methyl-1H-pyrazol-5-carbonsäure [German] [ACD/IUPAC Name]
4-bromo-1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid
4-Bromo-3-isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid [ACD/IUPAC Name]
Acide 4-bromo-3-isobutyl-1-méthyl-1H-pyrazole-5-carboxylique [French] [ACD/IUPAC Name]
4-BROMO-1-METHYL-3-(2-METHYLPROPYL)-1H- PYRAZOLE-CARBOXYLIC ACID
4-Bromo-1-methyl-3-(2-methylpropyl)-1H-pyrazole-carboxylic acid
4-bromo-2-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
4-Bromo-5-isobutyl-2-methyl-2H-pyrazole-3-carboxylic acid
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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: 372.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.4±3.0 kJ/mol
    Flash Point: 179.2±27.9 °C
    Index of Refraction: 1.592
    Molar Refractivity: 57.2±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.12
    ACD/LogD (pH 5.5): -0.43
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.53
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 55 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 43.2±7.0 dyne/cm
    Molar Volume: 169.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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