ChemSpider 2D Image | (1S,5S)-3,7-Dibromobicyclo[3.3.1]nonane-2,6-dione | C9H10Br2O2

(1S,5S)-3,7-Dibromobicyclo[3.3.1]nonane-2,6-dione

  • Molecular FormulaC9H10Br2O2
  • Average mass309.983 Da
  • Monoisotopic mass307.904755 Da
  • ChemSpider ID61407529

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1S,5S)-3,7-Dibrombicyclo[3.3.1]nonan-2,6-dion [German] [ACD/IUPAC Name]
(1S,5S)-3,7-Dibromobicyclo[3.3.1]nonane-2,6-dione [ACD/IUPAC Name]
(1S,5S)-3,7-Dibromobicyclo[3.3.1]nonane-2,6-dione [French] [ACD/IUPAC Name]
Bicyclo[3.3.1]nonane-2,6-dione, 3,7-dibromo-, (1S,5S)- [ACD/Index Name]
1221766-94-4 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 375.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 135.4±14.4 °C
Index of Refraction: 1.598
Molar Refractivity: 55.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.04
ACD/KOC (pH 5.5): 110.83
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.04
ACD/KOC (pH 7.4): 110.83
Polar Surface Area: 34 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 162.4±3.0 cm3

Click to predict properties on the Chemicalize site


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