ChemSpider 2D Image | (1R,2R,3S,4S,5R,6S,7R)-1,3,4,5,7,8,9,10,10-Nonachlorotricyclo[5.2.1.0~2,6~]dec-8-ene | C10H5Cl9

(1R,2R,3S,4S,5R,6S,7R)-1,3,4,5,7,8,9,10,10-Nonachlorotricyclo[5.2.1.02,6]dec-8-ene

  • Molecular FormulaC10H5Cl9
  • Average mass444.224 Da
  • Monoisotopic mass439.758789 Da
  • ChemSpider ID58785126

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(1R,2R,3S,4S,5R,6S,7R)-1,3,4,5,7,8,9,10,10-Nonachlorotricyclo[5.2.1.02,6]dec-8-ene [ACD/IUPAC Name]
(1R,2R,3S,4S,5R,6S,7R)-1,3,4,5,7,8,9,10,10-Nonachlorotricyclo[5.2.1.02,6]déc-8-ène [French] [ACD/IUPAC Name]
(1R,2R,3S,4S,5R,6S,7R)-1,3,4,5,7,8,9,10,10-Nonachlortricyclo[5.2.1.02,6]dec-8-en [German] [ACD/IUPAC Name]
4,7-Methano-1H-indene, 1,2,3,4,5,6,7,8,8-nonachloro-2,3,3a,4,7,7a-hexahydro-, (1R,3S,3aR,4R,7R,7aS)- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 451.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 229.1±24.7 °C
Index of Refraction: 1.632
Molar Refractivity: 85.1±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 6.16
ACD/BCF (pH 5.5): 28439.80
ACD/KOC (pH 5.5): 53666.75
ACD/LogD (pH 7.4): 6.16
ACD/BCF (pH 7.4): 28439.80
ACD/KOC (pH 7.4): 53666.75
Polar Surface Area: 0 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 238.5±5.0 cm3

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