ChemSpider 2D Image | 1-(5-Chloro-2-methoxyphenyl)-5-(4-chloro-3-nitrophenyl)-3-hydroxy-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one | C21H14Cl2N2O5S

1-(5-Chloro-2-methoxyphenyl)-5-(4-chloro-3-nitrophenyl)-3-hydroxy-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC21H14Cl2N2O5S
  • Average mass477.317 Da
  • Monoisotopic mass476.000061 Da
  • ChemSpider ID60253159

More details:

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

1-(5-Chlor-2-methoxyphenyl)-5-(4-chlor-3-nitrophenyl)-3-hydroxy-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-(5-Chloro-2-methoxyphenyl)-5-(4-chloro-3-nitrophenyl)-3-hydroxy-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-(5-Chloro-2-méthoxyphényl)-5-(4-chloro-3-nitrophényl)-3-hydroxy-4-(2-thiényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-(5-chloro-2-methoxyphenyl)-5-(4-chloro-3-nitrophenyl)-1,5-dihydro-3-hydroxy-4-(2-thienyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 634.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 337.3±31.5 °C
Index of Refraction: 1.703
Molar Refractivity: 118.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3487.74
ACD/KOC (pH 5.5): 11947.91
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3369.51
ACD/KOC (pH 7.4): 11542.90
Polar Surface Area: 124 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 71.0±3.0 dyne/cm
Molar Volume: 304.3±3.0 cm3

Click to predict properties on the Chemicalize site


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