ChemSpider 2D Image | 5-[(4,5-Dimethoxy-2-nitrobenzoyl)amino]-3-(trifluoromethyl)pentanoic acid | C15H17F3N2O7

5-[(4,5-Dimethoxy-2-nitrobenzoyl)amino]-3-(trifluoromethyl)pentanoic acid

  • Molecular FormulaC15H17F3N2O7
  • Average mass394.300 Da
  • Monoisotopic mass394.098785 Da
  • ChemSpider ID127054179

More details:

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

5-[(4,5-Dimethoxy-2-nitrobenzoyl)amino]-3-(trifluormethyl)pentansäure [German] [ACD/IUPAC Name]
5-[(4,5-Dimethoxy-2-nitrobenzoyl)amino]-3-(trifluoromethyl)pentanoic acid [ACD/IUPAC Name]
Acide 5-[(4,5-diméthoxy-2-nitrobenzoyl)amino]-3-(trifluorométhyl)pentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-(trifluoromethyl)- [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: 524.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 271.2±30.1 °C
Index of Refraction: 1.511
Molar Refractivity: 84.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.24
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 283.6±3.0 cm3

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