ChemSpider 2D Image | MFCD00673279 | C21H19D4ClFNO2

MFCD00673279

  • Molecular FormulaC21H19D4ClFNO2
  • Average mass379.889 Da
  • Monoisotopic mass379.165253 Da
  • ChemSpider ID24022478

  • Non-standard isotope - Non-standard isotope

More details:

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

136765-35-0 [RN]
1-Butanone, 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl-2,3,5,6-d4)- [ACD/Index Name]
200-659-6 [EINECS]
4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-[4-fluoro(2H4)phenyl]-1-butanone [ACD/IUPAC Name]
4-[4-(4-Chlorophényl)-4-hydroxy-1-pipéridinyl]-1-[4-fluoro(2H4)phényl]-1-butanone [French] [ACD/IUPAC Name]
4-[4-(4-Chlorphenyl)-4-hydroxy-1-piperidinyl]-1-[4-fluor(2H4)phenyl]-1-butanon [German] [ACD/IUPAC Name]
Haloperidol D4
MFCD00673279
1-Butanone,4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl-2,3,5,6-d4)-(9CI)
4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(2,3,5,6-tetradeuterio-4-fluoro-phenyl)butan-1-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.2±0.1 g/cm3
    Boiling Point: 529.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.6±3.0 kJ/mol
    Flash Point: 273.8±30.1 °C
    Index of Refraction: 1.581
    Molar Refractivity: 101.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.01
    ACD/LogD (pH 5.5): 0.95
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.56
    ACD/LogD (pH 7.4): 2.65
    ACD/BCF (pH 7.4): 38.78
    ACD/KOC (pH 7.4): 277.99
    Polar Surface Area: 41 Å2
    Polarizability: 40.0±0.5 10-24cm3
    Surface Tension: 47.9±3.0 dyne/cm
    Molar Volume: 303.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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