ChemSpider 2D Image | 3-Chloro-4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy]benzonitrile | C13H8ClN5O

3-Chloro-4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy]benzonitrile

  • Molecular FormulaC13H8ClN5O
  • Average mass285.689 Da
  • Monoisotopic mass285.041748 Da
  • ChemSpider ID21704841

More details:

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

3-Chlor-4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy]benzonitril [German] [ACD/IUPAC Name]
3-Chloro-4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy]benzonitrile [ACD/IUPAC Name]
3-Chloro-4-[(1-méthyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-chloro-4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 443.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 221.7±28.7 °C
Index of Refraction: 1.713
Molar Refractivity: 75.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.28
ACD/KOC (pH 5.5): 310.59
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.29
ACD/KOC (pH 7.4): 310.71
Polar Surface Area: 77 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 193.0±7.0 cm3

Click to predict properties on the Chemicalize site


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