ChemSpider 2D Image | Methyl 1-(4-bromophenyl)-4-oxocyclohexanecarboxylate | C14H15BrO3

Methyl 1-(4-bromophenyl)-4-oxocyclohexanecarboxylate

  • Molecular FormulaC14H15BrO3
  • Average mass311.171 Da
  • Monoisotopic mass310.020447 Da
  • ChemSpider ID28553234

More details:

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

1-(4-Bromophényl)-4-oxocyclohexanecarboxylate de méthyle [French] [ACD/IUPAC Name]
1384265-30-8 [RN]
Cyclohexanecarboxylic acid, 1-(4-bromophenyl)-4-oxo-, methyl ester [ACD/Index Name]
Methyl 1-(4-bromophenyl)-4-oxocyclohexane-1-carboxylate
Methyl 1-(4-bromophenyl)-4-oxocyclohexanecarboxylate [ACD/IUPAC Name]
Methyl-1-(4-bromphenyl)-4-oxocyclohexancarboxylat [German] [ACD/IUPAC Name]
[1384265-30-8] [RN]
1-Cyclobutene-1-carboxylic acid, 3,3-dimethyl- (7CI,9CI);3,3-DiMethyl-1-cyclobuten...
556-88-7 [RN]
95%
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 388.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.7±3.0 kJ/mol
    Flash Point: 188.5±27.9 °C
    Index of Refraction: 1.559
    Molar Refractivity: 70.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.81
    ACD/LogD (pH 5.5): 2.65
    ACD/BCF (pH 5.5): 61.24
    ACD/KOC (pH 5.5): 661.90
    ACD/LogD (pH 7.4): 2.65
    ACD/BCF (pH 7.4): 61.24
    ACD/KOC (pH 7.4): 661.90
    Polar Surface Area: 43 Å2
    Polarizability: 28.1±0.5 10-24cm3
    Surface Tension: 46.5±3.0 dyne/cm
    Molar Volume: 219.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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