ChemSpider 2D Image | 3-Bromo-2-(4-methylphenyl)-1-benzothiophene | C15H11BrS

3-Bromo-2-(4-methylphenyl)-1-benzothiophene

  • Molecular FormulaC15H11BrS
  • Average mass303.217 Da
  • Monoisotopic mass301.976471 Da
  • ChemSpider ID28683034

More details:

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

3-Brom-2-(4-methylphenyl)-1-benzothiophen [German] [ACD/IUPAC Name]
3-Bromo-2-(4-methylphenyl)-1-benzothiophene [ACD/IUPAC Name]
3-Bromo-2-(4-méthylphényl)-1-benzothiophène [French] [ACD/IUPAC Name]
Benzo[b]thiophene, 3-bromo-2-(4-methylphenyl)- [ACD/Index Name]
138254-23-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 408.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.5±3.0 kJ/mol
Flash Point: 200.9±24.6 °C
Index of Refraction: 1.679
Molar Refractivity: 79.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 5.81
ACD/BCF (pH 5.5): 15219.70
ACD/KOC (pH 5.5): 34304.70
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 15219.70
ACD/KOC (pH 7.4): 34304.70
Polar Surface Area: 28 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 210.8±3.0 cm3

Click to predict properties on the Chemicalize site


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