ChemSpider 2D Image | (1R,3R,6S,8S)-1,8,9,10,11,11-Hexachloro(3,4,5,6,12,12-~2~H_6_)tetracyclo[6.2.1.1~3,6~.0~2,7~]dodeca-4,9-diene | C12H2D6Cl6

(1R,3R,6S,8S)-1,8,9,10,11,11-Hexachloro(3,4,5,6,12,12-2H6)tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene

  • Molecular FormulaC12H2D6Cl6
  • Average mass370.947 Da
  • Monoisotopic mass367.913391 Da
  • ChemSpider ID8243327
  • defined stereocentres - 4 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(1R,3R,6S,8S)-1,8,9,10,11,11-Hexachlor(3,4,5,6,12,12-2H6)tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien [German] [ACD/IUPAC Name]
(1R,3R,6S,8S)-1,8,9,10,11,11-Hexachloro(3,4,5,6,12,12-2H6)tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene [ACD/IUPAC Name]
(1R,3R,6S,8S)-1,8,9,10,11,11-Hexachloro(3,4,5,6,12,12-2H6)tétracyclo[6.2.1.13,6.02,7]dodéca-4,9-diène [French] [ACD/IUPAC Name]
1,4:5,8-Dimethanonaphthalene-2,3,10,10-d4, 5,6,7,8,9,9-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4-d2-, (1R,4S,5S,8R)- [ACD/Index Name]

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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