ChemSpider 2D Image | 4-Acetamidophenyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate | C19H13ClF3N3O3

4-Acetamidophenyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC19H13ClF3N3O3
  • Average mass423.773 Da
  • Monoisotopic mass423.059753 Da
  • ChemSpider ID22577835

More details:

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

1-(4-Chlorophényl)-5-(trifluorométhyl)-1H-pyrazole-4-carboxylate de 4-acétamidophényle [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-5-(trifluoromethyl)-, 4-(acetylamino)phenyl ester [ACD/Index Name]
4-Acetamidophenyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
4-Acetamidophenyl-1-(4-chlorphenyl)-5-(trifluormethyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 589.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.5±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 100.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1019.60
ACD/KOC (pH 5.5): 4954.90
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1019.60
ACD/KOC (pH 7.4): 4954.90
Polar Surface Area: 73 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 296.5±7.0 cm3

Click to predict properties on the Chemicalize site


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