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

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

  • Molecular FormulaC21H14Cl2N2O5S
  • Average mass477.317 Da
  • Monoisotopic mass476.000061 Da
  • ChemSpider ID60252984

More details:

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

1-(5-Chlor-2-methoxyphenyl)-4-(4-chlorphenyl)-3-hydroxy-5-(5-nitro-2-thienyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-(5-Chloro-2-methoxyphenyl)-4-(4-chlorophenyl)-3-hydroxy-5-(5-nitro-2-thienyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-(5-Chloro-2-méthoxyphényl)-4-(4-chlorophényl)-3-hydroxy-5-(5-nitro-2-thiényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-(5-chloro-2-methoxyphenyl)-4-(4-chlorophenyl)-1,5-dihydro-3-hydroxy-5-(5-nitro-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: 633.7±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: 337.0±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: 5.59
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4094.43
ACD/KOC (pH 5.5): 13399.66
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3831.89
ACD/KOC (pH 7.4): 12540.44
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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