ChemSpider 2D Image | (1S,3S,4R)-3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one | C10H15BrO

(1S,3S,4R)-3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

  • Molecular FormulaC10H15BrO
  • Average mass231.130 Da
  • Monoisotopic mass230.030624 Da
  • ChemSpider ID32796752

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,3S,4R)-3-Brom-1,7,7-trimethylbicyclo[2.2.1]heptan-2-on [German] [ACD/IUPAC Name]
(1S,3S,4R)-3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one [ACD/IUPAC Name]
(1S,3S,4R)-3-Bromo-1,7,7-triméthylbicyclo[2.2.1]heptan-2-one [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptan-2-one, 3-bromo-1,7,7-trimethyl-, (1S,3S,4R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 245.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.3±3.0 kJ/mol
Flash Point: 35.8±9.9 °C
Index of Refraction: 1.529
Molar Refractivity: 52.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 62.84
ACD/KOC (pH 5.5): 674.18
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 62.84
ACD/KOC (pH 7.4): 674.18
Polar Surface Area: 17 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 169.2±3.0 cm3

Click to predict properties on the Chemicalize site


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