ChemSpider 2D Image | 5-Benzoyl-4-(4-chlorophenyl)-6-oxo-2-phenyl-1-cyclohexene-1-carbonitrile | C26H18ClNO2

5-Benzoyl-4-(4-chlorophenyl)-6-oxo-2-phenyl-1-cyclohexene-1-carbonitrile

  • Molecular FormulaC26H18ClNO2
  • Average mass411.880 Da
  • Monoisotopic mass411.102600 Da
  • ChemSpider ID23927248

More details:

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

1-Cyclohexene-1-carbonitrile, 5-benzoyl-4-(4-chlorophenyl)-6-oxo-2-phenyl- [ACD/Index Name]
5-Benzoyl-4-(4-chlorophenyl)-6-oxo-2-phenyl-1-cyclohexene-1-carbonitrile [ACD/IUPAC Name]
5-Benzoyl-4-(4-chlorophényl)-6-oxo-2-phényl-1-cyclohexène-1-carbonitrile [French] [ACD/IUPAC Name]
5-Benzoyl-4-(4-chlorphenyl)-6-oxo-2-phenyl-1-cyclohexen-1-carbonitril [German] [ACD/IUPAC Name]
Kinome_3588

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

Density: 1.3±0.1 g/cm3
Boiling Point: 575.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 301.8±30.1 °C
Index of Refraction: 1.658
Molar Refractivity: 115.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 14044.45
ACD/KOC (pH 5.5): 28653.97
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 557.96
ACD/KOC (pH 7.4): 1138.36
Polar Surface Area: 58 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 313.9±5.0 cm3

Click to predict properties on the Chemicalize site


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