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Search term: ZLAJWJUYGYVTFD (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-{4-Chloro-5-[(2Z)-2-chloro-3-ethoxy-3-hydroxy-2-propen-1-yl]-2-fluorophenyl}-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one | C15H14Cl2F3N3O3

2-{4-Chloro-5-[(2Z)-2-chloro-3-ethoxy-3-hydroxy-2-propen-1-yl]-2-fluorophenyl}-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC15H14Cl2F3N3O3
  • Average mass412.191 Da
  • Monoisotopic mass411.036438 Da
  • ChemSpider ID95593538

More details:






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

2-{4-Chlor-5-[(2Z)-2-chlor-3-ethoxy-3-hydroxy-2-propen-1-yl]-2-fluorphenyl}-4-(difluormethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
2-{4-Chloro-5-[(2Z)-2-chloro-3-ethoxy-3-hydroxy-2-propen-1-yl]-2-fluorophenyl}-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
2-{4-Chloro-5-[(2Z)-2-chloro-3-éthoxy-3-hydroxy-2-propén-1-yl]-2-fluorophényl}-4-(difluorométhyl)-5-méthyl-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
3H-1,2,4-Triazol-3-one, 2-[4-chloro-5-[(2Z)-2-chloro-3-ethoxy-3-hydroxy-2-propen-1-yl]-2-fluorophenyl]-4-(difluoromethyl)-2,4-dihydro-5-methyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 500.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 256.7±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 89.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 213.86
ACD/KOC (pH 5.5): 1619.88
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 209.53
ACD/KOC (pH 7.4): 1587.07
Polar Surface Area: 65 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 41.6±7.0 dyne/cm
Molar Volume: 269.9±7.0 cm3

Click to predict properties on the Chemicalize site






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