ChemSpider 2D Image | 1-Benzylpyrazole-3-carbonitrile | C11H9N3

1-Benzylpyrazole-3-carbonitrile

  • Molecular FormulaC11H9N3
  • Average mass183.209 Da
  • Monoisotopic mass183.079651 Da
  • ChemSpider ID29355128

More details:

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

1427475-28-2 [RN]
1-Benzyl-1H-pyrazol-3-carbonitril [German] [ACD/IUPAC Name]
1-Benzyl-1H-pyrazole-3-carbonitrile [ACD/IUPAC Name]
1-Benzyl-1H-pyrazole-3-carbonitrile [French] [ACD/IUPAC Name]
1-Benzylpyrazole-3-carbonitrile
1H-Pyrazole-3-carbonitrile, 1-(phenylmethyl)- [ACD/Index Name]
[1427475-28-2] [RN]
1-Benzylpyrazole-3-carbonitrile?
MFCD23381125 [MDL number]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 369.3±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.6±3.0 kJ/mol
    Flash Point: 177.1±23.2 °C
    Index of Refraction: 1.609
    Molar Refractivity: 57.1±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.39
    ACD/LogD (pH 5.5): 1.51
    ACD/BCF (pH 5.5): 8.30
    ACD/KOC (pH 5.5): 158.29
    ACD/LogD (pH 7.4): 1.51
    ACD/BCF (pH 7.4): 8.30
    ACD/KOC (pH 7.4): 158.29
    Polar Surface Area: 42 Å2
    Polarizability: 22.6±0.5 10-24cm3
    Surface Tension: 46.5±7.0 dyne/cm
    Molar Volume: 164.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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