ChemSpider 2D Image | 1-(6-Chloro-1H-purin-8-yl)-1,2-ethanediol | C7H7ClN4O2

1-(6-Chloro-1H-purin-8-yl)-1,2-ethanediol

  • Molecular FormulaC7H7ClN4O2
  • Average mass214.609 Da
  • Monoisotopic mass214.025757 Da
  • ChemSpider ID21393924

More details:

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

1-(6-Chlor-1H-purin-8-yl)-1,2-ethandiol [German] [ACD/IUPAC Name]
1-(6-Chloro-1H-purin-8-yl)-1,2-ethanediol [ACD/IUPAC Name]
1-(6-Chloro-1H-purin-8-yl)-1,2-éthanediol [French] [ACD/IUPAC Name]
1,2-Ethanediol, 1-(6-chloro-9H-purin-8-yl)- [ACD/Index Name]
1-(6-chloro-9H-purin-8-yl)ethane-1,2-diol
1044770-58-2 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 576.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 302.2±30.1 °C
Index of Refraction: 1.762
Molar Refractivity: 50.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.73
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.18
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.20
Polar Surface Area: 95 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 112.7±3.0 dyne/cm
Molar Volume: 122.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement