ChemSpider 2D Image | Isopropyl 3-{3-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}propanoate | C16H18F3N3O3

Isopropyl 3-{3-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}propanoate

  • Molecular FormulaC16H18F3N3O3
  • Average mass357.328 Da
  • Monoisotopic mass357.130035 Da
  • ChemSpider ID35033954

More details:

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

1H-1,2,4-Triazole-1-propanoic acid, 3-[3-methoxy-5-(trifluoromethyl)phenyl]-, 1-methylethyl ester [ACD/Index Name]
3-{3-[3-Méthoxy-5-(trifluorométhyl)phényl]-1H-1,2,4-triazol-1-yl}propanoate d'isopropyle [French] [ACD/IUPAC Name]
Isopropyl 3-{3-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}propanoate [ACD/IUPAC Name]
Isopropyl-3-{3-[3-methoxy-5-(trifluormethyl)phenyl]-1H-1,2,4-triazol-1-yl}propanoat [German] [ACD/IUPAC Name]
Propan-2-Yl 3-{3-[3-Methoxy-5-(Trifluoromethyl)phenyl]-1h-1,2,4-Triazol-1-Yl}propanoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 466.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.7±31.5 °C
Index of Refraction: 1.526
Molar Refractivity: 84.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 200.66
ACD/KOC (pH 5.5): 1547.70
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 200.69
ACD/KOC (pH 7.4): 1547.95
Polar Surface Area: 66 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 35.8±7.0 dyne/cm
Molar Volume: 275.1±7.0 cm3

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