ChemSpider 2D Image | 2-(2-Pyrimidinyloxy)benzonitrile | C11H7N3O

2-(2-Pyrimidinyloxy)benzonitrile

  • Molecular FormulaC11H7N3O
  • Average mass197.193 Da
  • Monoisotopic mass197.058914 Da
  • ChemSpider ID24957817

More details:

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

1159822-29-3 [RN]
2-(2-Pyrimidinyloxy)benzonitril [German] [ACD/IUPAC Name]
2-(2-Pyrimidinyloxy)benzonitrile [ACD/IUPAC Name]
2-(2-Pyrimidinyloxy)benzonitrile [French] [ACD/IUPAC Name]
2-(PYRIMIDIN-2-YLOXY)BENZONITRILE
Benzonitrile, 2-(2-pyrimidinyloxy)- [ACD/Index Name]
2-(Pyrimidin-2-yloxy)-benzonitrile
2-[(Pyrimidin-2-yl)oxy]benzonitrile
2-pyrimidin-2-yloxybenzonitrile
97%
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 403.2±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.4±3.0 kJ/mol
    Flash Point: 197.6±29.3 °C
    Index of Refraction: 1.618
    Molar Refractivity: 53.4±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.66
    ACD/LogD (pH 5.5): 1.49
    ACD/BCF (pH 5.5): 7.98
    ACD/KOC (pH 5.5): 153.92
    ACD/LogD (pH 7.4): 1.49
    ACD/BCF (pH 7.4): 7.98
    ACD/KOC (pH 7.4): 153.93
    Polar Surface Area: 59 Å2
    Polarizability: 21.2±0.5 10-24cm3
    Surface Tension: 67.4±5.0 dyne/cm
    Molar Volume: 152.3±5.0 cm3

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