ChemSpider 2D Image | Tolcapone-d4 | C14H7D4NO5

Tolcapone-d4

  • Molecular FormulaC14H7D4NO5
  • Average mass277.266 Da
  • Monoisotopic mass277.088837 Da
  • ChemSpider ID48063506

  • Non-standard isotope - Non-standard isotope

More details:

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

(3,4-Dihydroxy-5-nitrophenyl)[4-methyl(2H4)phenyl]methanon [German] [ACD/IUPAC Name]
(3,4-Dihydroxy-5-nitrophenyl)[4-methyl(2H4)phenyl]methanone [ACD/IUPAC Name]
(3,4-Dihydroxy-5-nitrophényl)[4-méthyl(2H4)phényl]méthanone [French] [ACD/IUPAC Name]
1246816-93-2 [RN]
Methanone, (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl-2,3,5,6-d4)- [ACD/Index Name]
Tolcapone-d4
(3,4-dihydroxy-5-nitrophenyl)-(2,3,5,6-tetradeuterio-4-methylphenyl)methanone

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 485.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.0±3.0 kJ/mol
    Flash Point: 205.7±17.2 °C
    Index of Refraction: 1.661
    Molar Refractivity: 71.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.07
    ACD/LogD (pH 5.5): 2.92
    ACD/BCF (pH 5.5): 71.44
    ACD/KOC (pH 5.5): 511.85
    ACD/LogD (pH 7.4): 1.22
    ACD/BCF (pH 7.4): 1.41
    ACD/KOC (pH 7.4): 10.13
    Polar Surface Area: 103 Å2
    Polarizability: 28.2±0.5 10-24cm3
    Surface Tension: 66.6±3.0 dyne/cm
    Molar Volume: 192.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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