ChemSpider 2D Image | 2-Phenyl-4-pyrimidinecarbonitrile | C11H7N3

2-Phenyl-4-pyrimidinecarbonitrile

  • Molecular FormulaC11H7N3
  • Average mass181.193 Da
  • Monoisotopic mass181.063995 Da
  • ChemSpider ID24217861

More details:

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

2-Phenyl-4-pyrimidincarbonitril [German] [ACD/IUPAC Name]
2-Phenyl-4-pyrimidinecarbonitrile [ACD/IUPAC Name]
2-Phényl-4-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
2-phenylpyrimidine-4-carbonitrile
4-Pyrimidinecarbonitrile, 2-phenyl- [ACD/Index Name]
83858-04-2 [RN]
4-Cyano-2-phenylpyrimidine
4-Pyrimidinecarbonitrile, 2-phenyl- (9CI)
4-pyrimidinecarbonitrile,2-phenyl-
MFCD18415998

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 252.3±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.0±3.0 kJ/mol
    Flash Point: 97.6±7.8 °C
    Index of Refraction: 1.625
    Molar Refractivity: 51.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.75
    ACD/LogD (pH 5.5): 1.32
    ACD/BCF (pH 5.5): 5.91
    ACD/KOC (pH 5.5): 124.22
    ACD/LogD (pH 7.4): 1.32
    ACD/BCF (pH 7.4): 5.91
    ACD/KOC (pH 7.4): 124.22
    Polar Surface Area: 50 Å2
    Polarizability: 20.5±0.5 10-24cm3
    Surface Tension: 65.9±5.0 dyne/cm
    Molar Volume: 146.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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