ChemSpider 2D Image | MFCD22549343 | C14H10N4

MFCD22549343

  • Molecular FormulaC14H10N4
  • Average mass234.256 Da
  • Monoisotopic mass234.090546 Da
  • ChemSpider ID29355126

More details:

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

1242069-41-5 [RN]
1-Benzyl-1,2,3-benzotriazole-5-carbonitrile
1-Benzyl-1H-1,2,3-benzotriazole-5-carbonitrile
1-Benzyl-1H-benzotriazol-5-carbonitril [German] [ACD/IUPAC Name]
1-Benzyl-1H-benzotriazole-5-carbonitrile [ACD/IUPAC Name]
1-Benzyl-1H-benzotriazole-5-carbonitrile [French] [ACD/IUPAC Name]
1H-1,2,3-Benzotriazole-5-carbonitrile, 1-(phenylmethyl)- [ACD/Index Name]
MFCD22549343
1-benzyl-1H-benzo[d][1,2,3]triazole-5-carbonitrile
WZ-9037

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 475.1±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.9±3.0 kJ/mol
    Flash Point: 241.1±24.0 °C
    Index of Refraction: 1.678
    Molar Refractivity: 71.4±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.36
    ACD/LogD (pH 5.5): 2.42
    ACD/BCF (pH 5.5): 40.66
    ACD/KOC (pH 5.5): 493.68
    ACD/LogD (pH 7.4): 2.42
    ACD/BCF (pH 7.4): 40.66
    ACD/KOC (pH 7.4): 493.69
    Polar Surface Area: 55 Å2
    Polarizability: 28.3±0.5 10-24cm3
    Surface Tension: 53.0±7.0 dyne/cm
    Molar Volume: 189.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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