ChemSpider 2D Image | 5-Cyclohexyl-3-[(3-fluorophenyl)sulfonyl]-2-methyl-1-benzofuran | C21H21FO3S

5-Cyclohexyl-3-[(3-fluorophenyl)sulfonyl]-2-methyl-1-benzofuran

  • Molecular FormulaC21H21FO3S
  • Average mass372.453 Da
  • Monoisotopic mass372.119537 Da
  • ChemSpider ID30656654

More details:

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

5-Cyclohexyl-3-[(3-fluorophenyl)sulfonyl]-2-methyl-1-benzofuran [ACD/IUPAC Name]
5-Cyclohexyl-3-[(3-fluorophényl)sulfonyl]-2-méthyl-1-benzofurane [French] [ACD/IUPAC Name]
5-Cyclohexyl-3-[(3-fluorphenyl)sulfonyl]-2-methyl-1-benzofuran [German] [ACD/IUPAC Name]
Benzofuran, 5-cyclohexyl-3-[(3-fluorophenyl)sulfonyl]-2-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 540.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 280.6±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 100.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8953.90
ACD/KOC (pH 5.5): 23466.08
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8953.90
ACD/KOC (pH 7.4): 23466.08
Polar Surface Area: 56 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 296.4±3.0 cm3

Click to predict properties on the Chemicalize site


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