ChemSpider 2D Image | 3-({4-[(4-Fluorophenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile | C16H11FN6

3-({4-[(4-Fluorophenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile

  • Molecular FormulaC16H11FN6
  • Average mass306.297 Da
  • Monoisotopic mass306.102936 Da
  • ChemSpider ID24808871

More details:

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

3-({4-[(4-Fluorophenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile [ACD/IUPAC Name]
3-({4-[(4-Fluorophényl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile [French] [ACD/IUPAC Name]
3-({4-[(4-Fluorphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 3-[[4-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]amino]- [ACD/Index Name]
Kinome_1266

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

Density: 1.4±0.1 g/cm3
Boiling Point: 521.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 268.9±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 81.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 74.82
ACD/KOC (pH 5.5): 763.30
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 75.04
ACD/KOC (pH 7.4): 765.48
Polar Surface Area: 87 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 78.0±5.0 dyne/cm
Molar Volume: 217.9±5.0 cm3

Click to predict properties on the Chemicalize site


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