ChemSpider 2D Image | 4-[3-(4-Chlorobenzoyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]phenyl acetate | C27H20ClNO7

4-[3-(4-Chlorobenzoyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]phenyl acetate

  • Molecular FormulaC27H20ClNO7
  • Average mass505.903 Da
  • Monoisotopic mass505.092834 Da
  • ChemSpider ID60043030

More details:

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

2H-Pyrrol-2-one, 5-[4-(acetyloxy)phenyl]-4-(4-chlorobenzoyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dihydro-3-hydroxy- [ACD/Index Name]
4-[3-(4-Chlorbenzoyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]phenyl-acetat [German] [ACD/IUPAC Name]
4-[3-(4-Chlorobenzoyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]phenyl acetate [ACD/IUPAC Name]
Acétate de 4-[3-(4-chlorobenzoyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]phényle [French] [ACD/IUPAC 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: 676.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 362.9±31.5 °C
Index of Refraction: 1.666
Molar Refractivity: 128.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 14.03
ACD/KOC (pH 5.5): 116.70
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.01
Polar Surface Area: 102 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 346.4±3.0 cm3

Click to predict properties on the Chemicalize site


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