ChemSpider 2D Image | trans-4-(3-Bromobenzoyl)cyclohexanecarboxylic acid | C14H15BrO3

trans-4-(3-Bromobenzoyl)cyclohexanecarboxylic acid

  • Molecular FormulaC14H15BrO3
  • Average mass311.171 Da
  • Monoisotopic mass310.020447 Da
  • ChemSpider ID21397011

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide trans-4-(3-bromobenzoyl)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-(3-bromobenzoyl)-, trans- [ACD/Index Name]
trans-4-(3-Brombenzoyl)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-(3-Bromobenzoyl)cyclohexanecarboxylic acid [ACD/IUPAC Name]
736136-14-4 [RN]
95%
MFCD01319780 [MDL number]
trans-4-(3-bromobenzoyl)cyclohexane-1-carboxylic acid

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 461.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.1±3.0 kJ/mol
    Flash Point: 233.1±27.3 °C
    Index of Refraction: 1.586
    Molar Refractivity: 71.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.33
    ACD/LogD (pH 5.5): 2.17
    ACD/BCF (pH 5.5): 15.84
    ACD/KOC (pH 5.5): 136.95
    ACD/LogD (pH 7.4): 0.37
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.15
    Polar Surface Area: 54 Å2
    Polarizability: 28.2±0.5 10-24cm3
    Surface Tension: 52.0±3.0 dyne/cm
    Molar Volume: 211.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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