ChemSpider 2D Image | 2-{[3-(3,4-Dimethylphenoxy)phenyl]carbamoyl}-4-nitrobenzoic acid | C22H18N2O6

2-{[3-(3,4-Dimethylphenoxy)phenyl]carbamoyl}-4-nitrobenzoic acid

  • Molecular FormulaC22H18N2O6
  • Average mass406.388 Da
  • Monoisotopic mass406.116486 Da
  • ChemSpider ID35034786

More details:

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

2-{[3-(3,4-Dimethylphenoxy)phenyl]carbamoyl}-4-nitrobenzoesäure [German] [ACD/IUPAC Name]
2-{[3-(3,4-Dimethylphenoxy)phenyl]carbamoyl}-4-nitrobenzoic acid [ACD/IUPAC Name]
Acide 2-{[3-(3,4-diméthylphénoxy)phényl]carbamoyl}-4-nitrobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[3-(3,4-dimethylphenoxy)phenyl]amino]carbonyl]-4-nitro- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 545.8±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: 283.9±30.1 °C
Index of Refraction: 1.669
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 9.73
ACD/KOC (pH 5.5): 29.61
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 3.82
ACD/KOC (pH 7.4): 11.62
Polar Surface Area: 121 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 295.8±3.0 cm3

Click to predict properties on the Chemicalize site


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