ChemSpider 2D Image | 2-Bromo-1,4-(~2~H_3_)benzenediol | C6H2D3BrO2

2-Bromo-1,4-(2H3)benzenediol

  • Molecular FormulaC6H2D3BrO2
  • Average mass192.025 Da
  • Monoisotopic mass190.966110 Da
  • ChemSpider ID68008149

  • Non-standard isotope - Non-standard isotope

More details:

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

1,4-Benzene-2,3,5-d3-diol, 6-bromo- [ACD/Index Name]
2-Brom-1,4-(2H3)benzoldiol [German] [ACD/IUPAC Name]
2-Bromo-1,4-(2H3)benzenediol [ACD/IUPAC Name]
2-Bromo-1,4-(2H3)benzènediol [French] [ACD/IUPAC Name]
[2h]c1=c(o)c([2h])=c([2h])c(o)=c1br

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 278.3±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.8±3.0 kJ/mol
    Flash Point: 122.1±21.8 °C
    Index of Refraction: 1.657
    Molar Refractivity: 37.7±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.01
    ACD/LogD (pH 5.5): 1.76
    ACD/BCF (pH 5.5): 12.80
    ACD/KOC (pH 5.5): 215.78
    ACD/LogD (pH 7.4): 1.75
    ACD/BCF (pH 7.4): 12.51
    ACD/KOC (pH 7.4): 211.04
    Polar Surface Area: 40 Å2
    Polarizability: 14.9±0.5 10-24cm3
    Surface Tension: 62.2±3.0 dyne/cm
    Molar Volume: 102.5±3.0 cm3

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