ChemSpider 2D Image | 3-(2,4-Dichlorophenyl)-1-(2,5-difluorophenyl)-4-(4-methyl-1-piperazinyl)-1H-pyrrole-2,5-dione | C21H17Cl2F2N3O2

3-(2,4-Dichlorophenyl)-1-(2,5-difluorophenyl)-4-(4-methyl-1-piperazinyl)-1H-pyrrole-2,5-dione

  • Molecular FormulaC21H17Cl2F2N3O2
  • Average mass452.281 Da
  • Monoisotopic mass451.066589 Da
  • ChemSpider ID32269478

More details:

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

1H-Pyrrole-2,5-dione, 3-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)-4-(4-methyl-1-piperazinyl)- [ACD/Index Name]
3-(2,4-Dichlorophenyl)-1-(2,5-difluorophenyl)-4-(4-methyl-1-piperazinyl)-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-(2,4-Dichlorophényl)-1-(2,5-difluorophényl)-4-(4-méthyl-1-pipérazinyl)-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
3-(2,4-Dichlorphenyl)-1-(2,5-difluorphenyl)-4-(4-methyl-1-piperazinyl)-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: 1.5±0.1 g/cm3
Boiling Point: 548.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.5±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 108.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 8.86
ACD/KOC (pH 5.5): 50.03
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 318.66
ACD/KOC (pH 7.4): 1798.71
Polar Surface Area: 44 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 305.0±3.0 cm3

Click to predict properties on the Chemicalize site


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