ChemSpider 2D Image | Diethyl (9-benzyl-2-chloro-9H-purin-6-yl)phosphonate | C16H18ClN4O3P

Diethyl (9-benzyl-2-chloro-9H-purin-6-yl)phosphonate

  • Molecular FormulaC16H18ClN4O3P
  • Average mass380.766 Da
  • Monoisotopic mass380.080505 Da
  • ChemSpider ID21118766

More details:

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

(9-Benzyl-2-chloro-9H-purin-6-yl)phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl (9-benzyl-2-chloro-9H-purin-6-yl)phosphonate [ACD/IUPAC Name]
Phosphonic acid, P-[2-chloro-9-(phenylmethyl)-9H-purin-6-yl]-, diethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 518.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.2±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 96.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.60
ACD/KOC (pH 5.5): 334.44
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.60
ACD/KOC (pH 7.4): 334.44
Polar Surface Area: 89 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 267.8±7.0 cm3

Click to predict properties on the Chemicalize site


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