ChemSpider 2D Image | 2,6-Dichloro-1,6,7,9-tetrahydro-8H-purin-8-one | C5H4Cl2N4O

2,6-Dichloro-1,6,7,9-tetrahydro-8H-purin-8-one

  • Molecular FormulaC5H4Cl2N4O
  • Average mass207.018 Da
  • Monoisotopic mass205.976212 Da
  • ChemSpider ID30208888

More details:

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

2,6-Dichlor-1,6,7,9-tetrahydro-8H-purin-8-on [German] [ACD/IUPAC Name]
2,6-Dichloro-1,6,7,9-tetrahydro-8H-purin-8-one [ACD/IUPAC Name]
2,6-Dichloro-1,6,7,9-tétrahydro-8H-purin-8-one [French] [ACD/IUPAC Name]
3H-Purin-8-ol, 2,6-dichloro-6,7-dihydro- [ACD/Index Name]
1447939-73-2 [RN]
2,6-dichloro-3,6,7,9-tetrahydropurin-8-one
AE-562/43458856
MolPort-027-948-031

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

    Density: 2.3±0.1 g/cm3
    Boiling Point: 474.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.7±3.0 kJ/mol
    Flash Point: 241.0±31.5 °C
    Index of Refraction: 1.917
    Molar Refractivity: 42.8±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.23
    ACD/LogD (pH 5.5): -0.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.91
    ACD/LogD (pH 7.4): -0.48
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.85
    Polar Surface Area: 73 Å2
    Polarizability: 16.9±0.5 10-24cm3
    Surface Tension: 91.0±7.0 dyne/cm
    Molar Volume: 90.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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