ChemSpider 2D Image | 1-(3-Butoxypropyl)-5-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-hydroxy-4-(3-nitrobenzoyl)-1,5-dihydro-2H-pyrrol-2-one | C25H27ClN2O8

1-(3-Butoxypropyl)-5-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-hydroxy-4-(3-nitrobenzoyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC25H27ClN2O8
  • Average mass518.943 Da
  • Monoisotopic mass518.145569 Da
  • ChemSpider ID118499542

More details:

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

1-(3-Butoxypropyl)-5-(3-chlor-4-hydroxy-5-methoxyphenyl)-3-hydroxy-4-(3-nitrobenzoyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-(3-Butoxypropyl)-5-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-hydroxy-4-(3-nitrobenzoyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-(3-Butoxypropyl)-5-(3-chloro-4-hydroxy-5-méthoxyphényl)-3-hydroxy-4-(3-nitrobenzoyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-(3-butoxypropyl)-5-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,5-dihydro-3-hydroxy-4-(3-nitrobenzoyl)- [ACD/Index 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: 697.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 375.3±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 131.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 23.46
ACD/KOC (pH 5.5): 168.51
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.53
Polar Surface Area: 142 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 376.4±3.0 cm3

Click to predict properties on the Chemicalize site


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