ChemSpider 2D Image | 4-(2-chloropyrimidin-4-yl)-2-morpholinobenzonitrile | C15H13ClN4O

4-(2-chloropyrimidin-4-yl)-2-morpholinobenzonitrile

  • Molecular FormulaC15H13ClN4O
  • Average mass300.743 Da
  • Monoisotopic mass300.077789 Da
  • ChemSpider ID29354834

More details:

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

1206970-30-0 [RN]
4-(2-Chlor-4-pyrimidinyl)-2-(4-morpholinyl)benzonitril [German] [ACD/IUPAC Name]
4-(2-Chloro-4-pyrimidinyl)-2-(4-morpholinyl)benzonitrile [ACD/IUPAC Name]
4-(2-Chloro-4-pyrimidinyl)-2-(4-morpholinyl)benzonitrile [French] [ACD/IUPAC Name]
4-(2-chloropyrimidin-4-yl)-2-morpholinobenzonitrile
Benzonitrile, 4-(2-chloro-4-pyrimidinyl)-2-(4-morpholinyl)- [ACD/Index Name]
4-(2-CHLOROPYRIMIDIN-4-YL)-2-(MORPHOLIN-4-YL)BENZONITRILE
MFCD14585314
QA-0657

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 584.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.4±3.0 kJ/mol
    Flash Point: 307.4±30.1 °C
    Index of Refraction: 1.649
    Molar Refractivity: 78.6±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.73
    ACD/LogD (pH 5.5): 1.44
    ACD/BCF (pH 5.5): 7.37
    ACD/KOC (pH 5.5): 145.40
    ACD/LogD (pH 7.4): 1.44
    ACD/BCF (pH 7.4): 7.37
    ACD/KOC (pH 7.4): 145.41
    Polar Surface Area: 62 Å2
    Polarizability: 31.1±0.5 10-24cm3
    Surface Tension: 72.3±5.0 dyne/cm
    Molar Volume: 215.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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