ChemSpider 2D Image | 2-({2-[(4-Nitrophenyl)amino]-4-pyrimidinyl}amino)benzoic acid | C17H13N5O4

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

  • Molecular FormulaC17H13N5O4
  • Average mass351.316 Da
  • Monoisotopic mass351.096741 Da
  • ChemSpider ID23287558

More details:

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

2-({2-[(4-Nitrophenyl)amino]-4-pyrimidinyl}amino)benzoesäure [German] [ACD/IUPAC Name]
2-({2-[(4-Nitrophenyl)amino]-4-pyrimidinyl}amino)benzoic acid [ACD/IUPAC Name]
2-({2-[(4-nitrophenyl)amino]pyrimidin-4-yl}amino)benzoic acid
Acide 2-({2-[(4-nitrophényl)amino]-4-pyrimidinyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-[(4-nitrophenyl)amino]-4-pyrimidinyl]amino]- [ACD/Index Name]
2-(2-(4-nitrophenylamino)pyrimidin-4-ylamino)benzoic acid
4-anilinopyrimidine 8m
Kinome_1193

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

Density: 1.5±0.1 g/cm3
Boiling Point: 634.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 337.4±34.3 °C
Index of Refraction: 1.750
Molar Refractivity: 94.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 20.33
ACD/KOC (pH 5.5): 85.77
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 1.65
ACD/KOC (pH 7.4): 6.97
Polar Surface Area: 133 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 82.3±3.0 dyne/cm
Molar Volume: 232.3±3.0 cm3

Click to predict properties on the Chemicalize site


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