Found 92 results

Search term: MF = 'C_{9}H_{8}Cl_{2}N_{4}O_{2}'
ChemSpider 2D Image | Methyl 2-chloro-9-(2-chloroethyl)-9H-purine-6-carboxylate | C9H8Cl2N4O2

Methyl 2-chloro-9-(2-chloroethyl)-9H-purine-6-carboxylate

  • Molecular FormulaC9H8Cl2N4O2
  • Average mass275.091 Da
  • Monoisotopic mass274.002441 Da
  • ChemSpider ID73982179

More details:

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

2-Chloro-9-(2-chloroéthyl)-9H-purine-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
9H-Purine-6-carboxylic acid, 2-chloro-9-(2-chloroethyl)-, methyl ester [ACD/Index Name]
Methyl 2-chloro-9-(2-chloroethyl)-9H-purine-6-carboxylate [ACD/IUPAC Name]
Methyl-2-chlor-9-(2-chlorethyl)-9H-purin-6-carboxylat [German] [ACD/IUPAC Name]
109047-45-2 [RN]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 391.7±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.1±3.0 kJ/mol
    Flash Point: 190.7±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: 2.15
    ACD/LogD (pH 5.5): 1.86
    ACD/BCF (pH 5.5): 15.31
    ACD/KOC (pH 5.5): 245.37
    ACD/LogD (pH 7.4): 1.86
    ACD/BCF (pH 7.4): 15.31
    ACD/KOC (pH 7.4): 245.37
    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

    Click to predict properties on the Chemicalize site


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