ChemSpider 2D Image | 5-Formyl-2-(4-methyl-1H-imidazol-1-yl)benzonitrile | C12H9N3O

5-Formyl-2-(4-methyl-1H-imidazol-1-yl)benzonitrile

  • Molecular FormulaC12H9N3O
  • Average mass211.219 Da
  • Monoisotopic mass211.074554 Da
  • ChemSpider ID23077004

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

1170735-10-0 [RN]
5-Formyl-2-(4-methyl-1H-imidazol-1-yl)benzonitril [German] [ACD/IUPAC Name]
5-Formyl-2-(4-methyl-1H-imidazol-1-yl)benzonitrile [ACD/IUPAC Name]
5-Formyl-2-(4-méthyl-1H-imidazol-1-yl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 5-formyl-2-(4-methyl-1H-imidazol-1-yl)- [ACD/Index Name]
[1170735-10-0] [RN]
5-FORMYL-2-(4-METHYL-1H-IMIDAZOL-1-YL)-BENZONITRILE
5-formyl-2-(4-methylimidazol-1-yl)benzonitrile
Benzonitrile,5-formyl-2-(4-methyl-1H-imidazol-1-yl)-
CS-13977
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.2±0.1 g/cm3
    Boiling Point: 401.3±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.2±3.0 kJ/mol
    Flash Point: 196.5±27.3 °C
    Index of Refraction: 1.620
    Molar Refractivity: 62.3±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.40
    ACD/LogD (pH 5.5): 1.48
    ACD/BCF (pH 5.5): 7.36
    ACD/KOC (pH 5.5): 135.67
    ACD/LogD (pH 7.4): 1.58
    ACD/BCF (pH 7.4): 9.31
    ACD/KOC (pH 7.4): 171.67
    Polar Surface Area: 59 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 48.1±7.0 dyne/cm
    Molar Volume: 177.5±7.0 cm3

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