ChemSpider 2D Image | Ethyl (2S)-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate | C15H14Cl2F3N3O3

Ethyl (2S)-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate

  • Molecular FormulaC15H14Cl2F3N3O3
  • Average mass412.191 Da
  • Monoisotopic mass411.036438 Da
  • ChemSpider ID26606695
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-Chloro-3-{2-chloro-5-[4-(difluorométhyl)-3-méthyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophényl}propanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluoro-, ethyl ester, (αS)- [ACD/Index Name]
Ethyl (2S)-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate [ACD/IUPAC Name]
Ethyl-(2S)-2-chlor-3-{2-chlor-5-[4-(difluormethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorphenyl}propanoat [German] [ACD/IUPAC Name]
(S)-carfentrazone-ethyl
128639-02-1 [RN]
870091-73-9 [RN]
ANNEX I INDEX 607-309-00-5
Benzenepropanoic acid, ¦Á,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluoro-, ethyl ester, (¦ÁS)-
carfentrazone-ethyl [BSI] [ISO]
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  • Miscellaneous
    • Chemical Class:

      An ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1<element>H</element>-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate that has <stereo>S</stereo> configuration. ChEBI CHEBI:138246

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

Density: 1.5±0.1 g/cm3
Boiling Point: 453.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.1±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 89.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 123.11
ACD/KOC (pH 5.5): 1091.05
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 123.11
ACD/KOC (pH 7.4): 1091.05
Polar Surface Area: 62 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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