ChemSpider 2D Image | 2-Chloro-3-[cis-4-(4-chlorophenyl)cyclohexyl]-1,4-naphthoquinone | C22H18Cl2O2

2-Chloro-3-[cis-4-(4-chlorophenyl)cyclohexyl]-1,4-naphthoquinone

  • Molecular FormulaC22H18Cl2O2
  • Average mass385.283 Da
  • Monoisotopic mass384.068390 Da
  • ChemSpider ID45144359

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,4-Naphthalenedione, 2-chloro-3-[cis-4-(4-chlorophenyl)cyclohexyl]- [ACD/Index Name]
1071223-07-8 [RN]
2-Chlor-3-[cis-4-(4-chlorphenyl)cyclohexyl]-1,4-naphthochinon [German] [ACD/IUPAC Name]
2-Chloro-3-[(cis)-4-(4-chlorophenyl)cyclohexyl]naphthalene-1,4-dione [ACD/IUPAC Name]
2-Chloro-3-[cis-4-(4-chlorophenyl)cyclohexyl]-1,4-naphthalenedione
2-Chloro-3-[cis-4-(4-chlorophenyl)cyclohexyl]-1,4-naphthoquinone [ACD/IUPAC Name]
2-Chloro-3-[cis-4-(4-chlorophényl)cyclohexyl]-1,4-naphtoquinone [French] [ACD/IUPAC Name]
L66 BV EVJ CG D- AL6TJ DR DG &&cis Form [WLN]
153977-22-1 [RN]
MFCD30474655
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 517.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.0±3.0 kJ/mol
    Flash Point: 216.1±30.7 °C
    Index of Refraction: 1.640
    Molar Refractivity: 103.0±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 6.60
    ACD/LogD (pH 5.5): 6.04
    ACD/BCF (pH 5.5): 22878.47
    ACD/KOC (pH 5.5): 45926.53
    ACD/LogD (pH 7.4): 6.04
    ACD/BCF (pH 7.4): 22878.47
    ACD/KOC (pH 7.4): 45926.53
    Polar Surface Area: 34 Å2
    Polarizability: 40.8±0.5 10-24cm3
    Surface Tension: 55.3±5.0 dyne/cm
    Molar Volume: 285.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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