IUPAC Name: | ethyl 3-oxo-3-(2,4,5-trichlorophenyl)propanoate |
Description: | 2, 4, 5- Trichloro- β- oxo-benzenepropanoic Acid Ethyl Ester is an intermediate in synthesizing 6-Chloro-6-defluoro Ciprofloxacin (C368035). It is an impurity of Ciprofloxacin (C482500), which is a fluorinated quinolone antibacterial. |
Molecular Weight: | 295.55 |
Molecular Formula: | C11H9Cl3O3 |
Canonical SMILES: | CCOC(=O)CC(=O)C1=CC(=C(C=C1Cl)Cl)Cl |
InChI: | InChI=1S/C11H9Cl3O3/c1-2-17-11(16)5-10(15)6-3-8(13)9(14)4-7(6)12/h3-4H,2,5H2,1H3 |
InChI Key: | WBFVKSWUTMVPDF-UHFFFAOYSA-N |
Solubility: | Acetic Anhydride; Dichloromethane; Ethyl Acetate; Methanol |
Appearance: | Orange Solid |
References: | Hoffken, G., et al. Antimicrob. Ag. Chemother., 27, 375 (1985), Scully, B.E., et al. Lancet, 1, 819 (1986). |
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