ChemSpider 2D Image | (1S,2R,3S,4S,5R,7S,8S,9S,10S)-3,4,5,6,6,7-Hexachloropentacyclo[6.3.0.0~2,4~.0~3,7~.0~5,9~]undecane-10-carbaldehyde | C12H8Cl6O

(1S,2R,3S,4S,5R,7S,8S,9S,10S)-3,4,5,6,6,7-Hexachloropentacyclo[6.3.0.02,4.03,7.05,9]undecane-10-carbaldehyde

  • Molecular FormulaC12H8Cl6O
  • Average mass380.909 Da
  • Monoisotopic mass377.870636 Da
  • ChemSpider ID78430805

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,2R,3S,4S,5R,7S,8S,9S,10S)-3,4,5,6,6,7-Hexachloropentacyclo[6.3.0.02,4.03,7.05,9]undecane-10-carbaldehyde [ACD/IUPAC Name]
(1S,2R,3S,4S,5R,7S,8S,9S,10S)-3,4,5,6,6,7-Hexachloropentacyclo[6.3.0.02,4.03,7.05,9]undécane-10-carbaldéhyde [French] [ACD/IUPAC Name]
(1S,2R,3S,4S,5R,7S,8S,9S,10S)-3,4,5,6,6,7-Hexachlorpentacyclo[6.3.0.02,4.03,7.05,9]undecan-10-carbaldehyd [German] [ACD/IUPAC Name]
2,3,6-Methenocycloprop[cd]azulene-5-carboxaldehyde, 1,1,2,2a,6a,6b-hexachlorodecahydro-, (2S,2aS,2bR,3S,5S,6S,6aR,6bS,7S)- [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: 435.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 183.6±29.3 °C
Index of Refraction: 1.675
Molar Refractivity: 76.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 196.22
ACD/KOC (pH 5.5): 1523.19
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 196.22
ACD/KOC (pH 7.4): 1523.19
Polar Surface Area: 17 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 204.1±5.0 cm3

Click to predict properties on the Chemicalize site


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