ChemSpider 2D Image | ATOVAQUONE-D4 | C22H15D4ClO3

ATOVAQUONE-D4

  • Molecular FormulaC22H15D4ClO3
  • Average mass370.862 Da
  • Monoisotopic mass370.127380 Da
  • ChemSpider ID38772299

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1,4-Naphthalenedione-5,6,7,8-d4, 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy- [ACD/Index Name]
2-[trans-4-(4-Chlorophényl)cyclohexyl]-3-hydroxy-1,4-(2H4)naphtalènedione [French] [ACD/IUPAC Name]
2-[trans-4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-(2H4)naphthalenedione [ACD/IUPAC Name]
2-[trans-4-(4-Chlorphenyl)cyclohexyl]-3-hydroxy-1,4-(2H4)naphthalindion [German] [ACD/IUPAC Name]
2070015-14-2 [RN]
ATOVAQUONE-D4
2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthalenedione-5,6,7,8-d4
3-[4-(4-chlorophenyl)cyclohexyl]-5,6,7,8-tetradeuterio-4-hydroxynaphthalene-1,2-dione
Atovaquone D4
Mepron D4

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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