ChemSpider 2D Image | 4-Bromo-1-(2,2-difluoroethyl)-1H-pyrazole | C5H5BrF2N2

4-Bromo-1-(2,2-difluoroethyl)-1H-pyrazole

  • Molecular FormulaC5H5BrF2N2
  • Average mass211.007 Da
  • Monoisotopic mass209.960403 Da
  • ChemSpider ID26635204

More details:

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

1H-Pyrazole, 4-bromo-1-(2,2-difluoroethyl)- [ACD/Index Name]
4-Brom-1-(2,2-difluorethyl)-1H-pyrazol [German] [ACD/IUPAC Name]
4-Bromo-1-(2,2-difluoroethyl)-1H-pyrazole [ACD/IUPAC Name]
4-Bromo-1-(2,2-difluoroéthyl)-1H-pyrazole [French] [ACD/IUPAC Name]
1049730-36-0 [RN]
MFCD12780068

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 225.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 44.3±3.0 kJ/mol
    Flash Point: 90.3±27.3 °C
    Index of Refraction: 1.544
    Molar Refractivity: 37.3±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.83
    ACD/LogD (pH 5.5): 1.91
    ACD/BCF (pH 5.5): 16.77
    ACD/KOC (pH 5.5): 261.88
    ACD/LogD (pH 7.4): 1.91
    ACD/BCF (pH 7.4): 16.77
    ACD/KOC (pH 7.4): 261.88
    Polar Surface Area: 18 Å2
    Polarizability: 14.8±0.5 10-24cm3
    Surface Tension: 36.4±7.0 dyne/cm
    Molar Volume: 118.2±7.0 cm3

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