ChemSpider 2D Image | 4-({4-[(2-Chlorophenyl)amino]-2-pyrimidinyl}amino)benzoic acid | C17H13ClN4O2

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

  • Molecular FormulaC17H13ClN4O2
  • Average mass340.764 Da
  • Monoisotopic mass340.072693 Da
  • ChemSpider ID28643384

More details:

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

4-({4-[(2-Chlorophenyl)amino]-2-pyrimidinyl}amino)benzoic acid [ACD/IUPAC Name]
4-({4-[(2-Chlorophenyl)amino]pyrimidin-2-Yl}amino)benzoic Acid
4-({4-[(2-Chlorphenyl)amino]-2-pyrimidinyl}amino)benzoesäure [German] [ACD/IUPAC Name]
Acide 4-({4-[(2-chlorophényl)amino]-2-pyrimidinyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[4-[(2-chlorophenyl)amino]-2-pyrimidinyl]amino]- [ACD/Index Name]
0BY
Bisanilinopyrimidine inhibitor, 7
Bisanilinopyrimidine, 3l

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

Density: 1.5±0.1 g/cm3
Boiling Point: 582.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 306.1±32.9 °C
Index of Refraction: 1.732
Molar Refractivity: 93.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 28.88
ACD/KOC (pH 5.5): 149.22
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 1.35
ACD/KOC (pH 7.4): 6.99
Polar Surface Area: 87 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 73.4±3.0 dyne/cm
Molar Volume: 232.4±3.0 cm3

Click to predict properties on the Chemicalize site


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