ChemSpider 2D Image | 2-{[4-(2,6-Dibromophenyl)-2-hydroxy-6-oxo-1-cyclohexen-1-yl]sulfanyl}benzonitrile | C19H13Br2NO2S

2-{[4-(2,6-Dibromophenyl)-2-hydroxy-6-oxo-1-cyclohexen-1-yl]sulfanyl}benzonitrile

  • Molecular FormulaC19H13Br2NO2S
  • Average mass479.185 Da
  • Monoisotopic mass476.903351 Da
  • ChemSpider ID58110777

More details:

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

2-{[4-(2,6-Dibromophenyl)-2-hydroxy-6-oxo-1-cyclohexen-1-yl]sulfanyl}benzonitrile [ACD/IUPAC Name]
2-{[4-(2,6-Dibromophényl)-2-hydroxy-6-oxo-1-cyclohexén-1-yl]sulfanyl}benzonitrile [French] [ACD/IUPAC Name]
2-{[4-(2,6-Dibromphenyl)-2-hydroxy-6-oxo-1-cyclohexen-1-yl]sulfanyl}benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 2-[[4-(2,6-dibromophenyl)-2-hydroxy-6-oxo-1-cyclohexen-1-yl]thio]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 555.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 289.8±30.1 °C
Index of Refraction: 1.728
Molar Refractivity: 106.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 21.21
ACD/KOC (pH 5.5): 67.67
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 1.67
ACD/KOC (pH 7.4): 5.32
Polar Surface Area: 86 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 77.2±5.0 dyne/cm
Molar Volume: 266.8±5.0 cm3

Click to predict properties on the Chemicalize site


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