ChemSpider 2D Image | 3-[(4-Bromophenyl)sulfonyl]-5-cyclohexyl-2-methyl-1-benzofuran | C21H21BrO3S

3-[(4-Bromophenyl)sulfonyl]-5-cyclohexyl-2-methyl-1-benzofuran

  • Molecular FormulaC21H21BrO3S
  • Average mass433.359 Da
  • Monoisotopic mass432.039459 Da
  • ChemSpider ID30657390

More details:

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

3-[(4-Bromophenyl)sulfonyl]-5-cyclohexyl-2-methyl-1-benzofuran [ACD/IUPAC Name]
3-[(4-Bromophényl)sulfonyl]-5-cyclohexyl-2-méthyl-1-benzofurane [French] [ACD/IUPAC Name]
3-[(4-Bromphenyl)sulfonyl]-5-cyclohexyl-2-methyl-1-benzofuran [German] [ACD/IUPAC Name]
Benzofuran, 3-[(4-bromophenyl)sulfonyl]-5-cyclohexyl-2-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 568.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 297.7±30.1 °C
Index of Refraction: 1.620
Molar Refractivity: 108.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.01
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 20996.48
ACD/KOC (pH 5.5): 43189.52
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 20996.48
ACD/KOC (pH 7.4): 43189.52
Polar Surface Area: 56 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 308.4±3.0 cm3

Click to predict properties on the Chemicalize site


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