ChemSpider 2D Image | 1-Oxo-1-{[4-(trifluoromethyl)phenyl]amino}-2-propanyl 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate | C20H18ClF3N2O6

1-Oxo-1-{[4-(trifluoromethyl)phenyl]amino}-2-propanyl 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate

  • Molecular FormulaC20H18ClF3N2O6
  • Average mass474.815 Da
  • Monoisotopic mass474.080536 Da
  • ChemSpider ID33106929

More details:

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

1-Oxo-1-{[4-(trifluormethyl)phenyl]amino}-2-propanyl-4-(2-amino-2-oxoethoxy)-3-chlor-5-methoxybenzoat [German] [ACD/IUPAC Name]
1-Oxo-1-{[4-(trifluoromethyl)phenyl]amino}-2-propanyl 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate [ACD/IUPAC Name]
4-(2-Amino-2-oxoéthoxy)-3-chloro-5-méthoxybenzoate de 1-oxo-1-{[4-(trifluorométhyl)phényl]amino}-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-, 1-methyl-2-oxo-2-[[4-(trifluoromethyl)phenyl]amino]ethyl ester [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: 697.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.4±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 107.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 221.98
ACD/KOC (pH 5.5): 1663.77
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 221.97
ACD/KOC (pH 7.4): 1663.74
Polar Surface Area: 117 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 332.5±3.0 cm3

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