ChemSpider 2D Image | 2-(Imidazol-1-yl)-5-nitrobenzonitrile | C10H6N4O2

2-(Imidazol-1-yl)-5-nitrobenzonitrile

  • Molecular FormulaC10H6N4O2
  • Average mass214.180 Da
  • Monoisotopic mass214.049072 Da
  • ChemSpider ID21805022

More details:

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

17417-11-7 [RN]
2-(1H-Imidazol-1-yl)-5-nitrobenzonitril [German] [ACD/IUPAC Name]
2-(1H-Imidazol-1-yl)-5-nitrobenzonitrile [ACD/IUPAC Name]
2-(1H-Imidazol-1-yl)-5-nitrobenzonitrile [French] [ACD/IUPAC Name]
2-(Imidazol-1-yl)-5-nitrobenzonitrile
Benzonitrile, 2-(1H-imidazol-1-yl)-5-nitro- [ACD/Index Name]
2-imidazol-1-yl-5-nitrobenzonitrile
2-imidazolyl-5-nitrobenzenecarbonitrile

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

MFCD02930945 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 436.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.3±3.0 kJ/mol
    Flash Point: 217.9±27.3 °C
    Index of Refraction: 1.677
    Molar Refractivity: 58.1±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.93
    ACD/LogD (pH 5.5): 1.04
    ACD/BCF (pH 5.5): 3.62
    ACD/KOC (pH 5.5): 86.47
    ACD/LogD (pH 7.4): 1.06
    ACD/BCF (pH 7.4): 3.77
    ACD/KOC (pH 7.4): 89.91
    Polar Surface Area: 87 Å2
    Polarizability: 23.0±0.5 10-24cm3
    Surface Tension: 64.7±7.0 dyne/cm
    Molar Volume: 154.2±7.0 cm3

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