ChemSpider 2D Image | 3-Bromo-1-isobutyl-1H-pyrazole | C7H11BrN2

3-Bromo-1-isobutyl-1H-pyrazole

  • Molecular FormulaC7H11BrN2
  • Average mass203.080 Da
  • Monoisotopic mass202.010559 Da
  • ChemSpider ID28604511

More details:

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

1354704-68-9 [RN]
1H-Pyrazole, 3-bromo-1-(2-methylpropyl)- [ACD/Index Name]
3-Brom-1-isobutyl-1H-pyrazol [German] [ACD/IUPAC Name]
3-bromo-1-(2-methylpropyl)-1H-pyrazole
3-bromo-1-(2-methylpropyl)pyrazole
3-Bromo-1-isobutyl-1H-pyrazole [ACD/IUPAC Name]
3-Bromo-1-isobutyl-1H-pyrazole [French] [ACD/IUPAC Name]
3-Bromo-1-(iso-butyl)-1H-pyrazole
3-bromo-1-isobutyl-1{H}-pyrazole
AGN-PC-0GX67M
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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: 238.8±13.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 45.6±3.0 kJ/mol
    Flash Point: 98.2±19.8 °C
    Index of Refraction: 1.564
    Molar Refractivity: 46.4±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.65
    ACD/LogD (pH 5.5): 2.40
    ACD/BCF (pH 5.5): 39.23
    ACD/KOC (pH 5.5): 481.23
    ACD/LogD (pH 7.4): 2.40
    ACD/BCF (pH 7.4): 39.23
    ACD/KOC (pH 7.4): 481.23
    Polar Surface Area: 18 Å2
    Polarizability: 18.4±0.5 10-24cm3
    Surface Tension: 36.9±7.0 dyne/cm
    Molar Volume: 142.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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