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

cis-4-(4-Bromobenzoyl)cyclohexanecarboxylic acid

  • Molecular FormulaC14H15BrO3
  • Average mass311.171 Da
  • Monoisotopic mass310.020447 Da
  • ChemSpider ID21396985

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide cis-4-(4-bromobenzoyl)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
cis-4-(4-Brombenzoyl)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
cis-4-(4-Bromobenzoyl)cyclohexanecarboxylic acid [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-(4-bromobenzoyl)-, cis- [ACD/Index Name]
735270-08-3 [RN]
95%
cis-4-(4-Bromobenzoyl)cyclohexane-1-carboxylic acid
MFCD01311333 [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: 465.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 235.5±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: 3.19
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 19.10
ACD/KOC (pH 5.5): 169.00
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.70
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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