ChemSpider 2D Image | (1S,3R,6R,8S)-1,8,9,10,11,11-Hexachlorotetracyclo[6.2.1.1~3,6~.0~2,7~]dodeca-4,9-diene | C12H8Cl6

(1S,3R,6R,8S)-1,8,9,10,11,11-Hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene

  • Molecular FormulaC12H8Cl6
  • Average mass364.910 Da
  • Monoisotopic mass361.875702 Da
  • ChemSpider ID25999856

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1S,3R,6R,8S)-1,8,9,10,11,11-Hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene [ACD/IUPAC Name]
(1S,3R,6R,8S)-1,8,9,10,11,11-Hexachlorotétracyclo[6.2.1.13,6.02,7]dodéca-4,9-diène [French] [ACD/IUPAC Name]
(1S,3R,6R,8S)-1,8,9,10,11,11-Hexachlortetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien [German] [ACD/IUPAC Name]
1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (1S,4S,5R,8R)- [ACD/Index Name]
(1s,4s,4ar,5r,8r,8as)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 384.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.9±3.0 kJ/mol
Flash Point: 186.1±25.3 °C
Index of Refraction: 1.659
Molar Refractivity: 77.7±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18100.57
ACD/KOC (pH 5.5): 38836.75
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18100.57
ACD/KOC (pH 7.4): 38836.75
Polar Surface Area: 0 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 210.7±5.0 cm3

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