ChemSpider 2D Image | 4-({4-[(2-Fluorophenyl)amino]-2-pyrimidinyl}amino)benzoic acid | C17H13FN4O2

4-({4-[(2-Fluorophenyl)amino]-2-pyrimidinyl}amino)benzoic acid

  • Molecular FormulaC17H13FN4O2
  • Average mass324.309 Da
  • Monoisotopic mass324.102264 Da
  • ChemSpider ID28640344

More details:






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

4-({4-[(2-Fluorophenyl)amino]-2-pyrimidinyl}amino)benzoic acid [ACD/IUPAC Name]
4-({4-[(2-Fluorophenyl)amino]pyrimidin-2-Yl}amino)benzoic Acid
4-({4-[(2-Fluorphenyl)amino]-2-pyrimidinyl}amino)benzoesäure [German] [ACD/IUPAC Name]
Acide 4-({4-[(2-fluorophényl)amino]-2-pyrimidinyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[4-[(2-fluorophenyl)amino]-2-pyrimidinyl]amino]- [ACD/Index Name]
0BZ
Bisanilinopyrimidine inhibitor, 6
Bisanilinopyrimidine, 6a

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 557.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 290.9±32.9 °C
Index of Refraction: 1.713
Molar Refractivity: 88.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 20.54
ACD/KOC (pH 5.5): 122.68
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.88
Polar Surface Area: 87 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 70.7±3.0 dyne/cm
Molar Volume: 224.7±3.0 cm3

Click to predict properties on the Chemicalize site






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