ChemSpider 2D Image | 5-(4-bromophenyl)-2-methyl-3-methylsulfanyl-benzofuran | C16H13BrOS

5-(4-bromophenyl)-2-methyl-3-methylsulfanyl-benzofuran

  • Molecular FormulaC16H13BrOS
  • Average mass333.243 Da
  • Monoisotopic mass331.987030 Da
  • ChemSpider ID21127136

More details:

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

5-(4-Bromophényl)-2-méthyl-3-(méthylsulfanyl)-1-benzofurane [French] [ACD/IUPAC Name]
5-(4-Bromphenyl)-2-methyl-3-(methylsulfanyl)-1-benzofuran [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 439.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 219.7±28.7 °C
Index of Refraction: 1.694
Molar Refractivity: 86.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10847.15
ACD/KOC (pH 5.5): 26919.56
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10847.15
ACD/KOC (pH 7.4): 26919.56
Polar Surface Area: 38 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 225.2±5.0 cm3

Click to predict properties on the Chemicalize site


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