ChemSpider 2D Image | 9-(2-Chloro-4-fluorobenzyl)-9H-purin-6-amine | C12H9ClFN5

9-(2-Chloro-4-fluorobenzyl)-9H-purin-6-amine

  • Molecular FormulaC12H9ClFN5
  • Average mass277.685 Da
  • Monoisotopic mass277.053040 Da
  • ChemSpider ID40008350

More details:






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

9-(2-Chlor-4-fluorbenzyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(2-Chloro-4-fluorobenzyl)-9H-purin-6-amine [ACD/IUPAC Name]
9-(2-Chloro-4-fluorobenzyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[(2-chloro-4-fluorophenyl)methyl]- [ACD/Index 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: 509.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 262.2±32.9 °C
Index of Refraction: 1.732
Molar Refractivity: 69.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.45
ACD/KOC (pH 5.5): 405.06
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 33.03
ACD/KOC (pH 7.4): 425.33
Polar Surface Area: 70 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 174.2±7.0 cm3

Click to predict properties on the Chemicalize site






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