ChemSpider 2D Image | N-(3-Chloro-4-fluorobenzyl)-7H-purin-6-amine | C12H9ClFN5

N-(3-Chloro-4-fluorobenzyl)-7H-purin-6-amine

  • Molecular FormulaC12H9ClFN5
  • Average mass277.685 Da
  • Monoisotopic mass277.053040 Da
  • ChemSpider ID40609178

More details:






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

7H-Purin-6-amine, N-[(3-chloro-4-fluorophenyl)methyl]- [ACD/Index Name]
N-(3-Chlor-4-fluorbenzyl)-7H-purin-6-amin [German] [ACD/IUPAC Name]
N-(3-Chloro-4-fluorobenzyl)-7H-purin-6-amine [ACD/IUPAC Name]
N-(3-Chloro-4-fluorobenzyl)-7H-purin-6-amine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 558.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.3±28.7 °C
Index of Refraction: 1.741
Molar Refractivity: 71.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.14
ACD/KOC (pH 5.5): 912.15
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.60
ACD/KOC (pH 7.4): 916.55
Polar Surface Area: 66 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 77.2±3.0 dyne/cm
Molar Volume: 177.9±3.0 cm3

Click to predict properties on the Chemicalize site






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