ChemSpider 2D Image | 2-(5-Bromo-2-fluorobenzyl)-1-benzothiophene | C15H10BrFS

2-(5-Bromo-2-fluorobenzyl)-1-benzothiophene

  • Molecular FormulaC15H10BrFS
  • Average mass321.207 Da
  • Monoisotopic mass319.967041 Da
  • ChemSpider ID32674340

More details:

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

1034305-17-3 [RN]
2-(5-Brom-2-fluorbenzyl)-1-benzothiophen [German] [ACD/IUPAC Name]
2-(5-Bromo-2-fluorobenzyl)-1-benzothiophene [ACD/IUPAC Name]
2-(5-Bromo-2-fluorobenzyl)-1-benzothiophène [French] [ACD/IUPAC Name]
2-(5-Bromo-2-fluorobenzyl)benzo[b]thiophene
Benzo[b]thiophene, 2-[(5-bromo-2-fluorophenyl)methyl]- [ACD/Index Name]
[1034305-17-3] [RN]
2-(5-Bromo-2-fluorobenzyl)benzothiophene
2-[(5-bromo-2-fluorophenyl)methyl]-1-benzothiophene
2-[(5-bromo-2-fluorophenyl)Methyl]-Benzo[b]thiophene
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2014-06-24 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 408.9±35.0 °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: 201.1±25.9 °C
    Index of Refraction: 1.670
    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: 7.13
    ACD/LogD (pH 5.5): 5.86
    ACD/BCF (pH 5.5): 16799.41
    ACD/KOC (pH 5.5): 36817.38
    ACD/LogD (pH 7.4): 5.86
    ACD/BCF (pH 7.4): 16799.41
    ACD/KOC (pH 7.4): 36817.38
    Polar Surface Area: 28 Å2
    Polarizability: 31.5±0.5 10-24cm3
    Surface Tension: 48.9±3.0 dyne/cm
    Molar Volume: 212.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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