ChemSpider 2D Image | DAS645 | C21H19Cl3N2O4S

DAS645

  • Molecular FormulaC21H19Cl3N2O4S
  • Average mass501.811 Da
  • Monoisotopic mass500.013123 Da
  • ChemSpider ID20118952

More details:

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

[1-TERT-BUTYL-3-(2,4-DICHLOROPHENYL)-5-HYDROXY-1H-PYRAZOL-4-YL][2-CHLORO-4-(METHYLSULFONYL)PHENYL]METHANONE
[2-Chlor-4-(methylsulfonyl)phenyl][3-(2,4-dichlorphenyl)-5-hydroxy-1-(2-methyl-2-propanyl)-1H-pyrazol-4-yl]methanon [German] [ACD/IUPAC Name]
[2-Chloro-4-(methylsulfonyl)phenyl][3-(2,4-dichlorophenyl)-5-hydroxy-1-(2-methyl-2-propanyl)-1H-pyrazol-4-yl]methanone [ACD/IUPAC Name]
[2-Chloro-4-(méthylsulfonyl)phényl][3-(2,4-dichlorophényl)-5-hydroxy-1-(2-méthyl-2-propanyl)-1H-pyrazol-4-yl]méthanone [French] [ACD/IUPAC Name]
DAS645
Methanone, [2-chloro-4-(methylsulfonyl)phenyl][3-(2,4-dichlorophenyl)-1-(1,1-dimethylethyl)-5-hydroxy-1H-pyrazol-4-yl]- [ACD/Index Name]
[1-tert-butyl-3-(2,4-dichlorophenyl)-5-hydroxy-1H-pyrazol-4-yl][2-chloro-4-(methanesulfonyl)phenyl]methanone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 676.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 363.1±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 123.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8356.61
ACD/KOC (pH 5.5): 21721.97
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1010.43
ACD/KOC (pH 7.4): 2626.49
Polar Surface Area: 98 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 345.0±7.0 cm3

Click to predict properties on the Chemicalize site


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