ChemSpider 2D Image | Isopropyl 3-[2-(2-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-oxoethyl)-2H-tetrazol-5-yl]benzoate | C20H17ClF3N5O3

Isopropyl 3-[2-(2-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-oxoethyl)-2H-tetrazol-5-yl]benzoate

  • Molecular FormulaC20H17ClF3N5O3
  • Average mass467.829 Da
  • Monoisotopic mass467.097198 Da
  • ChemSpider ID33155136

More details:

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

3-[2-(2-{[4-Chloro-2-(trifluorométhyl)phényl]amino}-2-oxoéthyl)-2H-tétrazol-5-yl]benzoate d'isopropyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[2-[2-[[4-chloro-2-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-2H-tetrazol-5-yl]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 3-[2-(2-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-oxoethyl)-2H-tetrazol-5-yl]benzoate [ACD/IUPAC Name]
Isopropyl-3-[2-(2-{[4-chlor-2-(trifluormethyl)phenyl]amino}-2-oxoethyl)-2H-tetrazol-5-yl]benzoat [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.606
Molar Refractivity: 110.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 470.90
ACD/KOC (pH 5.5): 2850.28
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 470.79
ACD/KOC (pH 7.4): 2849.59
Polar Surface Area: 99 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 321.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement