ChemSpider 2D Image | 2-{[3-(Decyloxy)benzoyl]amino}-5-nitrobenzoic acid | C24H30N2O6

2-{[3-(Decyloxy)benzoyl]amino}-5-nitrobenzoic acid

  • Molecular FormulaC24H30N2O6
  • Average mass442.505 Da
  • Monoisotopic mass442.210388 Da
  • ChemSpider ID35033517

More details:






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

2-{[3-(Decyloxy)benzoyl]amino}-5-nitrobenzoesäure [German] [ACD/IUPAC Name]
2-{[3-(Decyloxy)benzoyl]amino}-5-nitrobenzoic acid [ACD/IUPAC Name]
Acide 2-{[3-(décyloxy)benzoyl]amino}-5-nitrobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[3-(decyloxy)benzoyl]amino]-5-nitro- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 550.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 286.9±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 122.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 8.59
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 655.75
ACD/KOC (pH 5.5): 549.12
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 354.94
ACD/KOC (pH 7.4): 297.22
Polar Surface Area: 121 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 365.2±3.0 cm3

Click to predict properties on the Chemicalize site






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