ChemSpider 2D Image | Ethyl (2,6-dichloro-9H-purin-9-yl)acetate | C9H8Cl2N4O2

Ethyl (2,6-dichloro-9H-purin-9-yl)acetate

  • Molecular FormulaC9H8Cl2N4O2
  • Average mass275.091 Da
  • Monoisotopic mass274.002441 Da
  • ChemSpider ID21138689

More details:

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

(2,6-Dichloro-9H-purin-9-yl)acétate d'éthyle [French] [ACD/IUPAC Name]
171827-50-2 [RN]
9H-Purine-9-acetic acid, 2,6-dichloro-, ethyl ester [ACD/Index Name]
Ethyl (2,6-dichloro-9H-purin-9-yl)acetate [ACD/IUPAC Name]
ethyl 2-(2,6-dichloro-9H-purin-9-yl)acetate
Ethyl-(2,6-dichlor-9H-purin-9-yl)acetat [German] [ACD/IUPAC Name]
90%
C9H8Cl2N4O2
ethyl 2-(2,6-dichloropurin-9-yl)acetate
Ethyl 2,6-dichloro-9H-purine-9-acetate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 357.5±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.3±3.0 kJ/mol
    Flash Point: 170.0±30.7 °C
    Index of Refraction: 1.683
    Molar Refractivity: 63.3±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.89
    ACD/LogD (pH 5.5): 1.76
    ACD/BCF (pH 5.5): 12.84
    ACD/KOC (pH 5.5): 216.33
    ACD/LogD (pH 7.4): 1.76
    ACD/BCF (pH 7.4): 12.84
    ACD/KOC (pH 7.4): 216.33
    Polar Surface Area: 70 Å2
    Polarizability: 25.1±0.5 10-24cm3
    Surface Tension: 57.9±7.0 dyne/cm
    Molar Volume: 167.0±7.0 cm3

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