ChemSpider 2D Image | 4-[[4-Nitro-2-(trifluoromethyl)phenyl]amino]butanoic acid | C11H11F3N2O4

4-[[4-Nitro-2-(trifluoromethyl)phenyl]amino]butanoic acid

  • Molecular FormulaC11H11F3N2O4
  • Average mass292.211 Da
  • Monoisotopic mass292.067078 Da
  • ChemSpider ID35783527

More details:

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

4-[[4-Nitro-2-(trifluoromethyl)phenyl]amino]butanoic acid
4-{[4-Nitro-2-(trifluormethyl)phenyl]amino}butansäure [German] [ACD/IUPAC Name]
4-{[4-Nitro-2-(trifluoromethyl)phenyl]amino}butanoic acid [ACD/IUPAC Name]
65783-36-0 [RN]
Acide 4-{[4-nitro-2-(trifluorométhyl)phényl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[4-nitro-2-(trifluoromethyl)phenyl]amino]- [ACD/Index Name]
4-((4-Nitro-2-(trifluoromethyl)phenyl)amino)butanoic acid
4-[4-Nitro-2-(trifluoromethyl)anilino]butanoic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 451.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 226.8±28.7 °C
Index of Refraction: 1.546
Molar Refractivity: 62.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 9.84
ACD/KOC (pH 5.5): 102.47
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.63
Polar Surface Area: 95 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 198.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement