ChemSpider 2D Image | 2-({2-[(3-Hydroxyphenyl)amino]-4-pyrimidinyl}amino)benzoic acid | C17H14N4O3

2-({2-[(3-Hydroxyphenyl)amino]-4-pyrimidinyl}amino)benzoic acid

  • Molecular FormulaC17H14N4O3
  • Average mass322.318 Da
  • Monoisotopic mass322.106598 Da
  • ChemSpider ID23287548

More details:

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

2-({2-[(3-Hydroxyphenyl)amino]-4-pyrimidinyl}amino)benzoesäure [German] [ACD/IUPAC Name]
2-({2-[(3-Hydroxyphenyl)amino]-4-pyrimidinyl}amino)benzoic acid [ACD/IUPAC Name]
2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
Acide 2-({2-[(3-hydroxyphényl)amino]-4-pyrimidinyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-[(3-hydroxyphenyl)amino]-4-pyrimidinyl]amino]- [ACD/Index Name]
2-(2-(3-hydroxyphenylamino)pyrimidin-4-ylamino)benzoic acid
4-anilinopyrimidine 8c
Kinome_1200

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

Density: 1.5±0.1 g/cm3
Boiling Point: 616.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 326.5±34.3 °C
Index of Refraction: 1.759
Molar Refractivity: 90.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 4.79
ACD/KOC (pH 5.5): 25.61
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.05
Polar Surface Area: 107 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 82.3±3.0 dyne/cm
Molar Volume: 218.9±3.0 cm3

Click to predict properties on the Chemicalize site


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