ChemSpider 2D Image | Isopropyl (2E)-3-{3-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}acrylate | C16H16F3N3O3

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

  • Molecular FormulaC16H16F3N3O3
  • Average mass355.312 Da
  • Monoisotopic mass355.114380 Da
  • ChemSpider ID32821782

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{3-[3-Méthoxy-5-(trifluorométhyl)phényl]-1H-1,2,4-triazol-1-yl}acrylate d'isopropyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]-, 1-methylethyl ester, (2E)- [ACD/Index Name]
Isopropyl (2E)-3-{3-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}acrylate [ACD/IUPAC Name]
Isopropyl-(2E)-3-{3-[3-methoxy-5-(trifluormethyl)phenyl]-1H-1,2,4-triazol-1-yl}acrylat [German] [ACD/IUPAC Name]
1333151-73-7 [RN]
KPT-185
MFCD25976761
propan-2-yl (Z)-3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 458.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 231.3±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: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 207.09
ACD/KOC (pH 5.5): 1583.14
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 207.10
ACD/KOC (pH 7.4): 1583.15
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

Click to predict properties on the Chemicalize site


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