ChemSpider 2D Image | 3-[(3-Bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzonitrile | C12H7BrN6

3-[(3-Bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzonitrile

  • Molecular FormulaC12H7BrN6
  • Average mass315.128 Da
  • Monoisotopic mass313.991547 Da
  • ChemSpider ID37840708

More details:

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

3-[(3-Brom-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzonitril [German] [ACD/IUPAC Name]
3-[(3-Bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzonitrile [ACD/IUPAC Name]
3-[(3-Bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[(3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 558.2±50.0 °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: 291.4±30.1 °C
Index of Refraction: 1.777
Molar Refractivity: 72.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.44
ACD/KOC (pH 5.5): 499.91
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 34.68
ACD/KOC (pH 7.4): 418.31
Polar Surface Area: 90 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 108.1±5.0 dyne/cm
Molar Volume: 172.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement