ChemSpider 2D Image | (2S)-2-Bromocyclohexanone | C6H9BrO

(2S)-2-Bromocyclohexanone

  • Molecular FormulaC6H9BrO
  • Average mass177.039 Da
  • Monoisotopic mass175.983673 Da
  • ChemSpider ID60603859

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Bromcyclohexanon [German] [ACD/IUPAC Name]
(2S)-2-Bromocyclohexanone [ACD/IUPAC Name]
(2S)-2-Bromocyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 2-bromo-, (2S)- [ACD/Index Name]
53001-21-1 [RN]
MFCD20624011

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

Density: 1.5±0.1 g/cm3
Boiling Point: 210.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.7±3.0 kJ/mol
Flash Point: 83.7±12.7 °C
Index of Refraction: 1.519
Molar Refractivity: 35.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.03
ACD/KOC (pH 5.5): 110.56
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.03
ACD/KOC (pH 7.4): 110.56
Polar Surface Area: 17 Å2
Polarizability: 14.1±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 117.3±3.0 cm3

Click to predict properties on the Chemicalize site


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