ChemSpider 2D Image | 4-({4-[(2-Bromophenyl)amino]-2-pyrimidinyl}amino)benzoic acid | C17H13BrN4O2

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

  • Molecular FormulaC17H13BrN4O2
  • Average mass385.215 Da
  • Monoisotopic mass384.022186 Da
  • ChemSpider ID28643269

More details:






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

4-({4-[(2-Bromophenyl)amino]-2-pyrimidinyl}amino)benzoic acid [ACD/IUPAC Name]
4-({4-[(2-Bromophenyl)amino]pyrimidin-2-Yl}amino)benzoic Acid
4-({4-[(2-Bromphenyl)amino]-2-pyrimidinyl}amino)benzoesäure [German] [ACD/IUPAC Name]
Acide 4-({4-[(2-bromophényl)amino]-2-pyrimidinyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[4-[(2-bromophenyl)amino]-2-pyrimidinyl]amino]- [ACD/Index Name]
0C4
Bisanilinopyrimidine inhibitor, 8
Bisanilinopyrimidine, 6i

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

Density: 1.6±0.1 g/cm3
Boiling Point: 597.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 315.4±32.9 °C
Index of Refraction: 1.744
Molar Refractivity: 95.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 39.47
ACD/KOC (pH 5.5): 191.02
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 1.70
ACD/KOC (pH 7.4): 8.23
Polar Surface Area: 87 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 74.3±3.0 dyne/cm
Molar Volume: 236.7±3.0 cm3

Click to predict properties on the Chemicalize site






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