ChemSpider 2D Image | Ethyl (6-chloro-7H-purin-7-yl)acetate | C9H9ClN4O2

Ethyl (6-chloro-7H-purin-7-yl)acetate

  • Molecular FormulaC9H9ClN4O2
  • Average mass240.646 Da
  • Monoisotopic mass240.041397 Da
  • ChemSpider ID21136893

More details:

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

(6-Chloro-7H-purin-7-yl)acétate d'éthyle [French] [ACD/IUPAC Name]
7H-Purine-7-acetic acid, 6-chloro-, ethyl ester [ACD/Index Name]
Ethyl (6-chloro-7H-purin-7-yl)acetate [ACD/IUPAC Name]
Ethyl-(6-chlor-7H-purin-7-yl)acetat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 396.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.7±3.0 kJ/mol
Flash Point: 193.6±30.7 °C
Index of Refraction: 1.667
Molar Refractivity: 58.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 2.12
ACD/KOC (pH 5.5): 59.54
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 2.12
ACD/KOC (pH 7.4): 59.54
Polar Surface Area: 70 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 157.6±7.0 cm3

Click to predict properties on the Chemicalize site


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