ChemSpider 2D Image | 3-[Bromo(phenyl)methyl]-1-benzothiophene | C15H11BrS

3-[Bromo(phenyl)methyl]-1-benzothiophene

  • Molecular FormulaC15H11BrS
  • Average mass303.217 Da
  • Monoisotopic mass301.976471 Da
  • ChemSpider ID43507488

More details:

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

3-[Brom(phenyl)methyl]-1-benzothiophen [German] [ACD/IUPAC Name]
3-[Bromo(phenyl)methyl]-1-benzothiophene [ACD/IUPAC Name]
3-[Bromo(phényl)méthyl]-1-benzothiophène [French] [ACD/IUPAC Name]
Benzo[b]thiophene, 3-(bromophenylmethyl)- [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: 397.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 194.1±23.7 °C
Index of Refraction: 1.697
Molar Refractivity: 79.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12611.71
ACD/KOC (pH 5.5): 29986.28
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12611.71
ACD/KOC (pH 7.4): 29986.28
Polar Surface Area: 28 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 206.4±3.0 cm3

Click to predict properties on the Chemicalize site


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