ChemSpider 2D Image | {4-[2-(3-Acetoxyphenyl)-3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid | C27H20ClNO7

{4-[2-(3-Acetoxyphenyl)-3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid

  • Molecular FormulaC27H20ClNO7
  • Average mass505.903 Da
  • Monoisotopic mass505.092834 Da
  • ChemSpider ID60043109

More details:

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

{4-[2-(3-Acetoxyphenyl)-3-(4-chlorbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}essigsäure [German] [ACD/IUPAC Name]
{4-[2-(3-Acetoxyphenyl)-3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid [ACD/IUPAC Name]
Acide {4-[2-(3-acétoxyphényl)-3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phényl}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[2-[3-(acetyloxy)phenyl]-3-(4-chlorobenzoyl)-2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrol-1-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 703.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 379.0±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 129.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 1.92
ACD/KOC (pH 5.5): 13.13
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 69.4±3.0 dyne/cm
Molar Volume: 344.9±3.0 cm3

Click to predict properties on the Chemicalize site


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