ChemSpider 2D Image | 2-{[4-Nitro-2-(trifluoromethyl)phenyl]amino}-2-oxoethyl 4-(4-chloro-3-methylphenoxy)butanoate | C20H18ClF3N2O6

2-{[4-Nitro-2-(trifluoromethyl)phenyl]amino}-2-oxoethyl 4-(4-chloro-3-methylphenoxy)butanoate

  • Molecular FormulaC20H18ClF3N2O6
  • Average mass474.815 Da
  • Monoisotopic mass474.080536 Da
  • ChemSpider ID21990169

More details:

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

2-{[4-Nitro-2-(trifluormethyl)phenyl]amino}-2-oxoethyl-4-(4-chlor-3-methylphenoxy)butanoat [German] [ACD/IUPAC Name]
2-{[4-Nitro-2-(trifluoromethyl)phenyl]amino}-2-oxoethyl 4-(4-chloro-3-methylphenoxy)butanoate [ACD/IUPAC Name]
4-(4-Chloro-3-méthylphénoxy)butanoate de 2-{[4-nitro-2-(trifluorométhyl)phényl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-(4-chloro-3-methylphenoxy)-, 2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxoethyl ester [ACD/Index Name]
{[4-NITRO-2-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}METHYL 4-(4-CHLORO-3-METHYLPHENOXY)BUTANOATE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 623.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.1±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 108.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2049.87
ACD/KOC (pH 5.5): 8168.27
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2048.82
ACD/KOC (pH 7.4): 8164.08
Polar Surface Area: 110 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 334.0±3.0 cm3

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