ChemSpider 2D Image | 2-(3-Fluorophenyl)-3-(methylsulfanyl)-5-phenyl-1-benzofuran | C21H15FOS

2-(3-Fluorophenyl)-3-(methylsulfanyl)-5-phenyl-1-benzofuran

  • Molecular FormulaC21H15FOS
  • Average mass334.407 Da
  • Monoisotopic mass334.082764 Da
  • ChemSpider ID30657108

More details:

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

2-(3-Fluorophenyl)-3-(methylsulfanyl)-5-phenyl-1-benzofuran [ACD/IUPAC Name]
2-(3-Fluorophényl)-3-(méthylsulfanyl)-5-phényl-1-benzofurane [French] [ACD/IUPAC Name]
2-(3-Fluorphenyl)-3-(methylsulfanyl)-5-phenyl-1-benzofuran [German] [ACD/IUPAC Name]
Benzofuran, 2-(3-fluorophenyl)-3-(methylthio)-5-phenyl- [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: 494.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 252.8±28.7 °C
Index of Refraction: 1.686
Molar Refractivity: 99.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.04
ACD/LogD (pH 5.5): 6.13
ACD/BCF (pH 5.5): 26587.26
ACD/KOC (pH 5.5): 51140.68
ACD/LogD (pH 7.4): 6.13
ACD/BCF (pH 7.4): 26587.26
ACD/KOC (pH 7.4): 51140.68
Polar Surface Area: 38 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 259.9±5.0 cm3

Click to predict properties on the Chemicalize site


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