ChemSpider 2D Image | Methyl (4E)-4-(2,4-dichlorobenzylidene)-2-methyl-1-(4-methylbenzyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate | C22H19Cl2NO3

Methyl (4E)-4-(2,4-dichlorobenzylidene)-2-methyl-1-(4-methylbenzyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

  • Molecular FormulaC22H19Cl2NO3
  • Average mass416.297 Da
  • Monoisotopic mass415.074188 Da
  • ChemSpider ID68777989

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-(2,4-Dichlorobenzylidène)-2-méthyl-1-(4-méthylbenzyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-3-carboxylic acid, 4-[(2,4-dichlorophenyl)methylene]-4,5-dihydro-2-methyl-1-[(4-methylphenyl)methyl]-5-oxo-, methyl ester, (4E)- [ACD/Index Name]
Methyl (4E)-4-(2,4-dichlorobenzylidene)-2-methyl-1-(4-methylbenzyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Methyl-(4E)-4-(2,4-dichlorbenzyliden)-2-methyl-1-(4-methylbenzyl)-5-oxo-4,5-dihydro-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 594.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 313.6±30.1 °C
Index of Refraction: 1.642
Molar Refractivity: 111.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3422.79
ACD/KOC (pH 5.5): 11789.74
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3422.79
ACD/KOC (pH 7.4): 11789.74
Polar Surface Area: 47 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 309.4±3.0 cm3

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