ChemSpider 2D Image | 5-[(3-Nitrobenzyl)oxy]isophthalic acid | C15H11NO7

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

  • Molecular FormulaC15H11NO7
  • Average mass317.250 Da
  • Monoisotopic mass317.053558 Da
  • ChemSpider ID35033966

More details:

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

1,3-Benzenedicarboxylic acid, 5-[(3-nitrophenyl)methoxy]- [ACD/Index Name]
5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid
5-[(3-Nitrobenzyl)oxy]isophthalic acid [ACD/IUPAC Name]
5-[(3-Nitrobenzyl)oxy]isophthalsäure [German] [ACD/IUPAC Name]
Acide 5-[(3-nitrobenzyl)oxy]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: 613.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 324.6±30.1 °C
Index of Refraction: 1.659
Molar Refractivity: 77.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.10
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 72.5±3.0 dyne/cm
Molar Volume: 211.0±3.0 cm3

Click to predict properties on the Chemicalize site


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