ChemSpider 2D Image | 2-(3-Bromobenzyl)-1-benzothiophene | C15H11BrS

2-(3-Bromobenzyl)-1-benzothiophene

  • Molecular FormulaC15H11BrS
  • Average mass303.217 Da
  • Monoisotopic mass301.976471 Da
  • ChemSpider ID35143165

More details:

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

2-(3-Brombenzyl)-1-benzothiophen [German] [ACD/IUPAC Name]
2-(3-Bromobenzyl)-1-benzothiophene [ACD/IUPAC Name]
2-(3-Bromobenzyl)-1-benzothiophène [French] [ACD/IUPAC Name]
Benzo[b]thiophene, 2-[(3-bromophenyl)methyl]- [ACD/Index Name]
2-(3-bromobenzyl)benzo[b]thiophene
898538-24-4 [RN]
MFCD28505039

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 413.1±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.0±3.0 kJ/mol
    Flash Point: 203.6±23.2 °C
    Index of Refraction: 1.687
    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: 7.14
    ACD/LogD (pH 5.5): 5.99
    ACD/BCF (pH 5.5): 20976.68
    ACD/KOC (pH 5.5): 43160.41
    ACD/LogD (pH 7.4): 5.99
    ACD/BCF (pH 7.4): 20976.68
    ACD/KOC (pH 7.4): 43160.41
    Polar Surface Area: 28 Å2
    Polarizability: 31.5±0.5 10-24cm3
    Surface Tension: 50.4±3.0 dyne/cm
    Molar Volume: 208.6±3.0 cm3

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