ChemSpider 2D Image | 3-(4-Bromo-1H-pyrazol-1-yl)benzonitrile | C10H6BrN3

3-(4-Bromo-1H-pyrazol-1-yl)benzonitrile

  • Molecular FormulaC10H6BrN3
  • Average mass248.079 Da
  • Monoisotopic mass246.974503 Da
  • ChemSpider ID30854241

More details:

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

3-(4-Brom-1H-pyrazol-1-yl)benzonitril [German] [ACD/IUPAC Name]
3-(4-Bromo-1H-pyrazol-1-yl)benzonitrile [ACD/IUPAC Name]
3-(4-Bromo-1H-pyrazol-1-yl)benzonitrile [French] [ACD/IUPAC Name]
546142-07-8 [RN]
Benzonitrile, 3-(4-bromo-1H-pyrazol-1-yl)- [ACD/Index Name]
1-(3-Cyanophenyl)-1H-pyrazole
3-(4-bromopyrazol-1-yl)benzonitrile
4-Bromo-1-(3-cyanophenyl)-1H-pyrazole
MFCD27951955

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 364.9±22.0 °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±22.3 °C
    Index of Refraction: 1.666
    Molar Refractivity: 60.0±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.67
    ACD/LogD (pH 5.5): 2.62
    ACD/BCF (pH 5.5): 57.31
    ACD/KOC (pH 5.5): 631.19
    ACD/LogD (pH 7.4): 2.62
    ACD/BCF (pH 7.4): 57.31
    ACD/KOC (pH 7.4): 631.19
    Polar Surface Area: 42 Å2
    Polarizability: 23.8±0.5 10-24cm3
    Surface Tension: 53.0±7.0 dyne/cm
    Molar Volume: 161.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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