ChemSpider 2D Image | 6-(2,4-Difluorophenoxy)-3-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine | C18H12F2N4O

6-(2,4-Difluorophenoxy)-3-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC18H12F2N4O
  • Average mass338.311 Da
  • Monoisotopic mass338.097931 Da
  • ChemSpider ID25057546

More details:

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

1H-Pyrazolo[3,4-d]pyrimidine, 6-(2,4-difluorophenoxy)-3-(2-methylphenyl)- [ACD/Index Name]
6-(2,4-Difluorophenoxy)-3-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
6-(2,4-Difluorophénoxy)-3-(2-méthylphényl)-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
6-(2,4-Difluorphenoxy)-3-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
FL4

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

Density: 1.4±0.1 g/cm3
Boiling Point: 533.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 276.4±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 88.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 477.82
ACD/KOC (pH 5.5): 2816.53
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 72.87
ACD/KOC (pH 7.4): 429.54
Polar Surface Area: 64 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 242.1±3.0 cm3

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