ChemSpider 2D Image | 2-[cis-4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone | C22H19ClO3

2-[cis-4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone

  • Molecular FormulaC22H19ClO3
  • Average mass366.837 Da
  • Monoisotopic mass366.102264 Da
  • ChemSpider ID57579856

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,4-Naphthalenedione, 2-[cis-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy- [ACD/Index Name]
2-[cis-4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone [ACD/IUPAC Name]
2-[cis-4-(4-Chlorophényl)cyclohexyl]-3-hydroxy-1,4-naphtoquinone [French] [ACD/IUPAC Name]
2-[cis-4-(4-Chlorphenyl)cyclohexyl]-3-hydroxy-1,4-naphthochinon [German] [ACD/IUPAC Name]
137732-39-9 [RN]
cis-atovaquone
MFCD28137497

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 535.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.4±3.0 kJ/mol
    Flash Point: 277.3±30.1 °C
    Index of Refraction: 1.653
    Molar Refractivity: 99.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 6.18
    ACD/LogD (pH 5.5): 4.24
    ACD/BCF (pH 5.5): 705.02
    ACD/KOC (pH 5.5): 2552.54
    ACD/LogD (pH 7.4): 2.49
    ACD/BCF (pH 7.4): 12.60
    ACD/KOC (pH 7.4): 45.63
    Polar Surface Area: 54 Å2
    Polarizability: 39.5±0.5 10-24cm3
    Surface Tension: 60.5±3.0 dyne/cm
    Molar Volume: 271.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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