ChemSpider 2D Image | Ethyl 4-{[1-(2,4-dichlorobenzyl)-1H-1,2,3-triazol-4-yl]methoxy}-8-(trifluoromethyl)-3-quinolinecarboxylate | C23H17Cl2F3N4O3

Ethyl 4-{[1-(2,4-dichlorobenzyl)-1H-1,2,3-triazol-4-yl]methoxy}-8-(trifluoromethyl)-3-quinolinecarboxylate

  • Molecular FormulaC23H17Cl2F3N4O3
  • Average mass525.307 Da
  • Monoisotopic mass524.062988 Da
  • ChemSpider ID30658166

More details:

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

3-Quinolinecarboxylic acid, 4-[[1-[(2,4-dichlorophenyl)methyl]-1H-1,2,3-triazol-4-yl]methoxy]-8-(trifluoromethyl)-, ethyl ester [ACD/Index Name]
4-{[1-(2,4-Dichlorobenzyl)-1H-1,2,3-triazol-4-yl]méthoxy}-8-(trifluorométhyl)-3-quinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[1-(2,4-dichlorobenzyl)-1H-1,2,3-triazol-4-yl]methoxy}-8-(trifluoromethyl)-3-quinolinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[1-(2,4-dichlorbenzyl)-1H-1,2,3-triazol-4-yl]methoxy}-8-(trifluormethyl)-3-chinolincarboxylat [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: 616.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.5±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 124.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 7018.56
ACD/KOC (pH 5.5): 19711.54
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 7019.41
ACD/KOC (pH 7.4): 19713.93
Polar Surface Area: 79 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 355.3±7.0 cm3

Click to predict properties on the Chemicalize site


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