ChemSpider 2D Image | 4-(3-Bromophenyl)-1-isopropyl-1H-pyrazole | C12H13BrN2

4-(3-Bromophenyl)-1-isopropyl-1H-pyrazole

  • Molecular FormulaC12H13BrN2
  • Average mass265.149 Da
  • Monoisotopic mass264.026215 Da
  • ChemSpider ID35474824

More details:

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

1351385-55-1 [RN]
1H-Pyrazole, 4-(3-bromophenyl)-1-(1-methylethyl)- [ACD/Index Name]
4-(3-bromophenyl)-1-(propan-2-yl)-1H-pyrazole
4-(3-Bromophenyl)-1-isopropyl-1H-pyrazole [ACD/IUPAC Name]
4-(3-Bromophényl)-1-isopropyl-1H-pyrazole [French] [ACD/IUPAC Name]
4-(3-Bromphenyl)-1-isopropyl-1H-pyrazol [German] [ACD/IUPAC Name]
4-(3-Bromo-phenyl)-1-isopropyl-1H-pyrazole
4-(3-bromophenyl)-1-propan-2-ylpyrazole
AKOS017975668
MFCD20491970

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 345.4±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.6±3.0 kJ/mol
    Flash Point: 162.7±23.2 °C
    Index of Refraction: 1.602
    Molar Refractivity: 66.9±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.68
    ACD/LogD (pH 5.5): 3.45
    ACD/BCF (pH 5.5): 245.22
    ACD/KOC (pH 5.5): 1786.62
    ACD/LogD (pH 7.4): 3.45
    ACD/BCF (pH 7.4): 245.26
    ACD/KOC (pH 7.4): 1786.89
    Polar Surface Area: 18 Å2
    Polarizability: 26.5±0.5 10-24cm3
    Surface Tension: 40.0±7.0 dyne/cm
    Molar Volume: 195.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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