ChemSpider 2D Image | 4-(7-HYDROXY-2-ISOPROPYL-4-OXOQUINAZOLIN-3-YL)BENZONITRILE | C18H15N3O2

4-(7-HYDROXY-2-ISOPROPYL-4-OXOQUINAZOLIN-3-YL)BENZONITRILE

  • Molecular FormulaC18H15N3O2
  • Average mass305.331 Da
  • Monoisotopic mass305.116425 Da
  • ChemSpider ID26529945

More details:

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

4-(7-Hydroxy-2-isopropyl-4-oxo-3(4H)-chinazolinyl)benzonitril [German] [ACD/IUPAC Name]
4-(7-Hydroxy-2-isopropyl-4-oxo-3(4H)-quinazolinyl)benzonitrile [ACD/IUPAC Name]
4-(7-Hydroxy-2-isopropyl-4-oxo-3(4H)-quinazolinyl)benzonitrile [French] [ACD/IUPAC Name]
4-(7-HYDROXY-2-ISOPROPYL-4-OXOQUINAZOLIN-3-YL)BENZONITRILE
4-[7-hydroxy-4-oxo-2-(propan-2-yl)-3,4-dihydroquinazolin-3-yl]benzonitrile
871814-52-7 [RN]
Benzonitrile, 4-[7-hydroxy-2-(1-methylethyl)-4-oxo-3(4H)-quinazolinyl]- [ACD/Index Name]
4-(7-hydroxy-2-isopropyl-4-oxo-4H-quinazolin-3-yl)-benzonitrile
4-(7-HYDROXY-2-ISOPROPYL-4-OXOQUINAZOLIN-3(4H)-YL)BENZONITRILE
4-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile
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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: 551.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 86.3±3.0 kJ/mol
    Flash Point: 287.4±32.9 °C
    Index of Refraction: 1.649
    Molar Refractivity: 88.1±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.62
    ACD/LogD (pH 5.5): 2.22
    ACD/BCF (pH 5.5): 28.30
    ACD/KOC (pH 5.5): 371.21
    ACD/LogD (pH 7.4): 1.34
    ACD/BCF (pH 7.4): 3.65
    ACD/KOC (pH 7.4): 47.86
    Polar Surface Area: 77 Å2
    Polarizability: 34.9±0.5 10-24cm3
    Surface Tension: 49.7±7.0 dyne/cm
    Molar Volume: 241.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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