Molecular Identity
Carfentrazone-ethyl
ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate
PubChem CID: 86222
Ethyl 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 is an ethyl ester resulting from the formal condensation of the carboxy group of 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid with ethanol. It has a role as a proherbicide.
2D Structure
Properties
C15H14Cl2F3N3O3
Molecular Formula
412.20
Molecular Weight
g/mol
411.0364
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
62.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
7
H-Bond Acceptors
582
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Carfentrazone-ethyl128639-02-1AuroraKuaimielingSpotlightSpotlight 24ECAurora (pesticide)Aurora 50WGF 8426DTXSID403253245Y208AO5KF8426Benzenepropanoic acid, alpha,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluoro-, ethyl esterDTXCID2012532Ethyl 2-chloro-3-(2-chloro-4-fluoro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenyl)propanoate
Data from PubChem (NCBI)
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Trials and conditions connected to Carfentrazone-ethyl
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