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Search term: MF = 'C_{13}H_{13}BrO_{3}'
ChemSpider 2D Image | 1-(2-Bromophenyl)-4-oxocyclohexanecarboxylic acid | C13H13BrO3

1-(2-Bromophenyl)-4-oxocyclohexanecarboxylic acid

  • Molecular FormulaC13H13BrO3
  • Average mass297.145 Da
  • Monoisotopic mass296.004791 Da
  • ChemSpider ID28569413

More details:

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

1-(2-Bromophenyl)-4-oxocyclohexanecarboxylic acid [ACD/IUPAC Name]
1-(2-Bromphenyl)-4-oxocyclohexancarbonsäure [German] [ACD/IUPAC Name]
1385694-47-2 [RN]
Acide 1-(2-bromophényl)-4-oxocyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 1-(2-bromophenyl)-4-oxo- [ACD/Index Name]
[1385694-47-2] [RN]
1-(2-BROMOPHENYL)-4-OXOCYCLOHEXANE-1-CARBOXYLIC ACID
1227384-81-7 [RN]
AC4933
MFCD22423148 [MDL number]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 457.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.7±3.0 kJ/mol
    Flash Point: 230.7±28.7 °C
    Index of Refraction: 1.595
    Molar Refractivity: 65.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.32
    ACD/LogD (pH 5.5): 0.68
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.63
    ACD/LogD (pH 7.4): -0.96
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 54 Å2
    Polarizability: 26.1±0.5 10-24cm3
    Surface Tension: 55.4±3.0 dyne/cm
    Molar Volume: 194.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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