ChemSpider 2D Image | 4-Chloro-1-(4-fluorophenyl)-1-oxo-2-butanyl 1-(2-chlorophenyl)-5-oxo-3-pyrrolidinecarboxylate | C21H18Cl2FNO4

4-Chloro-1-(4-fluorophenyl)-1-oxo-2-butanyl 1-(2-chlorophenyl)-5-oxo-3-pyrrolidinecarboxylate

  • Molecular FormulaC21H18Cl2FNO4
  • Average mass438.276 Da
  • Monoisotopic mass437.059692 Da
  • ChemSpider ID68513327

More details:

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

1-(2-Chlorophényl)-5-oxo-3-pyrrolidinecarboxylate de 4-chloro-1-(4-fluorophényl)-1-oxo-2-butanyle [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-(2-chlorophenyl)-5-oxo-, 3-chloro-1-(4-fluorobenzoyl)propyl ester [ACD/Index Name]
4-Chlor-1-(4-fluorphenyl)-1-oxo-2-butanyl-1-(2-chlorphenyl)-5-oxo-3-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
4-Chloro-1-(4-fluorophenyl)-1-oxo-2-butanyl 1-(2-chlorophenyl)-5-oxo-3-pyrrolidinecarboxylate [ACD/IUPAC Name]
4-CHLORO-1-(4-FLUOROPHENYL)-1-OXOBUTAN-2-YL 1-(2-CHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLATE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 624.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.4±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 106.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1292.46
ACD/KOC (pH 5.5): 5871.53
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1292.46
ACD/KOC (pH 7.4): 5871.53
Polar Surface Area: 64 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 314.9±3.0 cm3

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