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

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

  • Molecular FormulaC21H14Cl2N2O5S
  • Average mass477.317 Da
  • Monoisotopic mass476.000061 Da
  • ChemSpider ID59771247

More details:

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

2H-Pyrrol-2-one, 4-(3,5-dichloro-4-methoxyphenyl)-1,5-dihydro-3-hydroxy-5-(5-nitro-2-thienyl)-1-phenyl- [ACD/Index Name]
4-(3,5-Dichlor-4-methoxyphenyl)-3-hydroxy-5-(5-nitro-2-thienyl)-1-phenyl-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(3,5-Dichloro-4-methoxyphenyl)-3-hydroxy-5-(5-nitro-2-thienyl)-1-phenyl-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(3,5-Dichloro-4-méthoxyphényl)-3-hydroxy-5-(5-nitro-2-thiényl)-1-phényl-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC 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: 628.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 333.6±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: 5.34
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3784.17
ACD/KOC (pH 5.5): 12666.14
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3643.88
ACD/KOC (pH 7.4): 12196.58
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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