ChemSpider 2D Image | 2-Bromo-1-[(1R,3R)-3-hydroxycyclohexyl]ethanone | C8H13BrO2

2-Bromo-1-[(1R,3R)-3-hydroxycyclohexyl]ethanone

  • Molecular FormulaC8H13BrO2
  • Average mass221.092 Da
  • Monoisotopic mass220.009888 Da
  • ChemSpider ID24186108

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Brom-1-[(1R,3R)-3-hydroxycyclohexyl]ethanon [German] [ACD/IUPAC Name]
2-Bromo-1-[(1R,3R)-3-hydroxycyclohexyl]ethanone [ACD/IUPAC Name]
2-Bromo-1-[(1R,3R)-3-hydroxycyclohexyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-bromo-1-[(1R,3R)-3-hydroxycyclohexyl]- [ACD/Index Name]
128883-06-7 [RN]
2-bromo-1-((1R,3R)-3-hydroxycyclohexyl)ethanone
Ethanone, 2-bromo-1-(3-hydroxycyclohexyl)-, trans- (9CI)

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

Density: 1.5±0.1 g/cm3
Boiling Point: 311.9±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.1±6.0 kJ/mol
Flash Point: 142.4±25.1 °C
Index of Refraction: 1.537
Molar Refractivity: 46.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 3.43
ACD/KOC (pH 5.5): 84.04
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.43
ACD/KOC (pH 7.4): 84.04
Polar Surface Area: 37 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 147.9±3.0 cm3

Click to predict properties on the Chemicalize site


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