ChemSpider 2D Image | Methyl 3-[2-(3-acetoxyphenyl)-3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate | C27H20ClNO7

Methyl 3-[2-(3-acetoxyphenyl)-3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate

  • Molecular FormulaC27H20ClNO7
  • Average mass505.903 Da
  • Monoisotopic mass505.092834 Da
  • ChemSpider ID60043099

More details:

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

3-[2-(3-Acétoxyphényl)-3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[2-[3-(acetyloxy)phenyl]-3-(4-chlorobenzoyl)-2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrol-1-yl]-, methyl ester [ACD/Index Name]
Methyl 3-[2-(3-acetoxyphenyl)-3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate [ACD/IUPAC Name]
Methyl-3-[2-(3-acetoxyphenyl)-3-(4-chlorbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoat [German] [ACD/IUPAC 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: 665.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 356.0±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 129.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 50.19
ACD/KOC (pH 5.5): 290.62
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.01
Polar Surface Area: 110 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 355.4±3.0 cm3

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