ChemSpider 2D Image | (1S,2S,4R,5R)-1,2-Dibromo-4-chloro-1-(chloromethyl)-5-[(E)-2-chlorovinyl]-5-methylcyclohexane | C10H13Br2Cl3

(1S,2S,4R,5R)-1,2-Dibromo-4-chloro-1-(chloromethyl)-5-[(E)-2-chlorovinyl]-5-methylcyclohexane

  • Molecular FormulaC10H13Br2Cl3
  • Average mass399.377 Da
  • Monoisotopic mass395.844940 Da
  • ChemSpider ID32674919
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1S,2S,4R,5R)-1,2-Dibrom-4-chlor-1-(chlormethyl)-5-[(E)-2-chlorvinyl]-5-methylcyclohexan [German] [ACD/IUPAC Name]
(1S,2S,4R,5R)-1,2-Dibromo-4-chloro-1-(chloromethyl)-5-[(E)-2-chlorovinyl]-5-methylcyclohexane [ACD/IUPAC Name]
(1S,2S,4R,5R)-1,2-Dibromo-4-chloro-1-(chlorométhyl)-5-[(E)-2-chlorovinyl]-5-méthylcyclohexane [French] [ACD/IUPAC Name]
Cyclohexane, 1,2-dibromo-4-chloro-5-[(E)-2-chloroethenyl]-1-(chloromethyl)-5-methyl-, (1S,2S,4R,5R)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 389.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 61.4±3.0 kJ/mol
Flash Point: 223.1±18.0 °C
Index of Refraction: 1.570
Molar Refractivity: 76.1±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11576.23
ACD/KOC (pH 5.5): 28202.67
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11576.23
ACD/KOC (pH 7.4): 28202.67
Polar Surface Area: 0 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 44.5±5.0 dyne/cm
Molar Volume: 232.1±5.0 cm3

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