ChemSpider 2D Image | (1R,8S,10S,11S,12R)-9,9,10,11,12-Pentabromotricyclo[6.2.2.0~2,7~]dodeca-2,4,6-triene | C12H9Br5

(1R,8S,10S,11S,12R)-9,9,10,11,12-Pentabromotricyclo[6.2.2.02,7]dodeca-2,4,6-triene

  • Molecular FormulaC12H9Br5
  • Average mass552.720 Da
  • Monoisotopic mass547.662048 Da
  • ChemSpider ID8523041

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,8S,10S,11S,12R)-9,9,10,11,12-Pentabromotricyclo[6.2.2.02,7]dodeca-2,4,6-triene [ACD/IUPAC Name]
(1R,8S,10S,11S,12R)-9,9,10,11,12-Pentabromotricyclo[6.2.2.02,7]dodéca-2,4,6-triène [French] [ACD/IUPAC Name]
(1R,8S,10S,11S,12R)-9,9,10,11,12-Pentabromtricyclo[6.2.2.02,7]dodeca-2,4,6-trien [German] [ACD/IUPAC Name]
1,4-Ethanonaphthalene, 2,2,3,9,10-pentabromo-1,2,3,4-tetrahydro-, (1S,3S,4R,9S,10R)- [ACD/Index Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 459.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 223.2±23.5 °C
Index of Refraction: 1.732
Molar Refractivity: 89.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 5.81
ACD/BCF (pH 5.5): 15219.81
ACD/KOC (pH 5.5): 34304.89
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 15219.81
ACD/KOC (pH 7.4): 34304.89
Polar Surface Area: 0 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 223.0±3.0 cm3

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