ChemSpider 2D Image | 5-[(3-Nitrobenzyl)amino]isophthalic acid | C15H12N2O6

5-[(3-Nitrobenzyl)amino]isophthalic acid

  • Molecular FormulaC15H12N2O6
  • Average mass316.266 Da
  • Monoisotopic mass316.069550 Da
  • ChemSpider ID35033967

More details:

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

1,3-Benzenedicarboxylic acid, 5-[[(3-nitrophenyl)methyl]amino]- [ACD/Index Name]
5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid
5-[(3-Nitrobenzyl)amino]isophthalic acid [ACD/IUPAC Name]
5-[(3-Nitrobenzyl)amino]isophthalsäure [German] [ACD/IUPAC Name]
Acide 5-[(3-nitrobenzyl)amino]isophtalique [French] [ACD/IUPAC 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: 632.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 336.1±31.5 °C
Index of Refraction: 1.711
Molar Refractivity: 80.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.69
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 80.3±3.0 dyne/cm
Molar Volume: 206.5±3.0 cm3

Click to predict properties on the Chemicalize site


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