ChemSpider 2D Image | 2-({4-[(3-Fluorophenyl)amino]-1,3,5-triazin-2-yl}amino)benzoic acid | C16H12FN5O2

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

  • Molecular FormulaC16H12FN5O2
  • Average mass325.297 Da
  • Monoisotopic mass325.097504 Da
  • ChemSpider ID24808880

More details:

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

2-({4-[(3-Fluorophenyl)amino]-1,3,5-triazin-2-yl}amino)benzoic acid [ACD/IUPAC Name]
2-({4-[(3-Fluorphenyl)amino]-1,3,5-triazin-2-yl}amino)benzoesäure [German] [ACD/IUPAC Name]
Acide 2-({4-[(3-fluorophényl)amino]-1,3,5-triazin-2-yl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[4-[(3-fluorophenyl)amino]-1,3,5-triazin-2-yl]amino]- [ACD/Index Name]
Kinome_1247

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

Density: 1.5±0.1 g/cm3
Boiling Point: 561.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 293.1±32.9 °C
Index of Refraction: 1.721
Molar Refractivity: 86.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 11.51
ACD/KOC (pH 5.5): 65.41
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.18
Polar Surface Area: 100 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 77.1±3.0 dyne/cm
Molar Volume: 217.9±3.0 cm3

Click to predict properties on the Chemicalize site


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