ChemSpider 2D Image | Methyl [2-chloro(~2~H_4_)phenyl](6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate | C16H12D4ClNO2S

Methyl [2-chloro(2H4)phenyl](6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate

  • Molecular FormulaC16H12D4ClNO2S
  • Average mass325.846 Da
  • Monoisotopic mass325.084137 Da
  • ChemSpider ID58793359

  • Non-standard isotope - Non-standard isotope

More details:

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

[2-Chloro(2H4)phényl](6,7-dihydrothiéno[3,2-c]pyridin-5(4H)-yl)acétate de méthyle [French] [ACD/IUPAC Name]
Methyl [2-chloro(2H4)phenyl](6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate [ACD/IUPAC Name]
Methyl-[2-chlor(2H4)phenyl](6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetat [German] [ACD/IUPAC Name]
Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(6-chlorophenyl-2,3,4,5-d4)-6,7-dihydro-, methyl ester [ACD/Index Name]
113665-84-2 [RN]
1219274-95-9 [RN]
Clopidogrel Labeled d4
MFCD00866627 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 423.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.8±3.0 kJ/mol
    Flash Point: 210.0±28.7 °C
    Index of Refraction: 1.617
    Molar Refractivity: 85.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.23
    ACD/LogD (pH 5.5): 4.16
    ACD/BCF (pH 5.5): 840.19
    ACD/KOC (pH 5.5): 4182.12
    ACD/LogD (pH 7.4): 4.21
    ACD/BCF (pH 7.4): 935.75
    ACD/KOC (pH 7.4): 4657.76
    Polar Surface Area: 58 Å2
    Polarizability: 33.9±0.5 10-24cm3
    Surface Tension: 52.8±3.0 dyne/cm
    Molar Volume: 244.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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