ChemSpider 2D Image | 3-(3,4-Dichlorophenyl)-4-[(2,5-dichlorophenyl)amino]-1-(2-thienylmethyl)-1H-pyrrole-2,5-dione | C21H12Cl4N2O2S

3-(3,4-Dichlorophenyl)-4-[(2,5-dichlorophenyl)amino]-1-(2-thienylmethyl)-1H-pyrrole-2,5-dione

  • Molecular FormulaC21H12Cl4N2O2S
  • Average mass498.209 Da
  • Monoisotopic mass495.937347 Da
  • ChemSpider ID119003602

More details:

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

1H-Pyrrole-2,5-dione, 3-(3,4-dichlorophenyl)-4-[(2,5-dichlorophenyl)amino]-1-(2-thienylmethyl)- [ACD/Index Name]
3-(3,4-Dichlorophenyl)-4-[(2,5-dichlorophenyl)amino]-1-(2-thienylmethyl)-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-(3,4-Dichlorophényl)-4-[(2,5-dichlorophényl)amino]-1-(2-thiénylméthyl)-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
3-(3,4-Dichlorphenyl)-4-[(2,5-dichlorphenyl)amino]-1-(2-thienylmethyl)-1H-pyrrol-2,5-dion [German] [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: 625.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.1±31.5 °C
Index of Refraction: 1.732
Molar Refractivity: 122.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 6.33
ACD/BCF (pH 5.5): 38209.38
ACD/KOC (pH 5.5): 66297.98
ACD/LogD (pH 7.4): 6.33
ACD/BCF (pH 7.4): 38209.38
ACD/KOC (pH 7.4): 66297.98
Polar Surface Area: 78 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 74.3±3.0 dyne/cm
Molar Volume: 306.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement