ChemSpider 2D Image | 5-(Bromomethyl)-2-phenyl-1-benzothiophene | C15H11BrS

5-(Bromomethyl)-2-phenyl-1-benzothiophene

  • Molecular FormulaC15H11BrS
  • Average mass303.217 Da
  • Monoisotopic mass301.976471 Da
  • ChemSpider ID112711794

More details:

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

5-(Brommethyl)-2-phenyl-1-benzothiophen [German] [ACD/IUPAC Name]
5-(Bromomethyl)-2-phenyl-1-benzothiophene [ACD/IUPAC Name]
5-(Bromométhyl)-2-phényl-1-benzothiophène [French] [ACD/IUPAC Name]
Benzo[b]thiophene, 5-(bromomethyl)-2-phenyl- [ACD/Index 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: 437.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 218.5±24.6 °C
Index of Refraction: 1.693
Molar Refractivity: 79.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.99
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12630.02
ACD/KOC (pH 5.5): 30017.44
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12630.02
ACD/KOC (pH 7.4): 30017.44
Polar Surface Area: 28 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 207.8±3.0 cm3

Click to predict properties on the Chemicalize site


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