ChemSpider 2D Image | 4-{[(2-Carbamoyl-4-nitrophenyl)amino]methyl}benzoic acid | C15H13N3O5

4-{[(2-Carbamoyl-4-nitrophenyl)amino]methyl}benzoic acid

  • Molecular FormulaC15H13N3O5
  • Average mass315.281 Da
  • Monoisotopic mass315.085510 Da
  • ChemSpider ID26372611

More details:

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

4-{[(2-Carbamoyl-4-nitrophenyl)amino]methyl}benzoesäure [German] [ACD/IUPAC Name]
4-{[(2-Carbamoyl-4-nitrophenyl)amino]methyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{[(2-carbamoyl-4-nitrophényl)amino]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[2-(aminocarbonyl)-4-nitrophenyl]amino]methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 546.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 284.0±30.1 °C
Index of Refraction: 1.706
Molar Refractivity: 82.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 5.17
ACD/KOC (pH 5.5): 49.82
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.28
Polar Surface Area: 138 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 77.2±3.0 dyne/cm
Molar Volume: 212.7±3.0 cm3

Click to predict properties on the Chemicalize site


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