Products 128621-72-7
CAS 128621-72-7 appears in our catalog under these names: Carfentrazone (free acid), Carfentrazone (free acid) 100 µg/mL in Methanol, Carfentrazone, >95% (HPLC), Carfentrazone (free acid), Concentration: 100 µg/ml Solvent: Acetonitrile, Carfentrazone (free acid), Concentration: 10 µg/ml Solvent: Acetonitrile. Offered by: Dr. Ehrenstorfer, TRC, HPC Standards. Available pack sizes: 10mg, 1ml, 25mg, 50mg, 1x10mg, 1x1ml, 1x5ml.
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 is a member of the class of triazoles that is 2,4-dihydro-3H-1,2,4-triazol-3-one which is substituted at positions 2, 4, and 5 by 5-(2-carboxy-2-chloroethyl)-4-chloro-2-fluorophenyl, difluoromethyl, and methyl groups, respectively. It is a monocarboxylic acid, a member of triazoles, a member of monochlorobenzenes and a member of monofluorobenzenes.
Source: ChEBI
| Molecular formula | C13H10Cl2F3N3O3 |
|---|---|
| Molecular weight | 384.13 g/mol |
| IUPAC name | 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoic acid |
| InChIKey | YHKBGVDUSSWOAB-UHFFFAOYSA-N |
| SMILES | CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)CC(C(=O)O)Cl)Cl)F |
Computed by PubChem (NCBI)