6, 7- Dichloro- 1, 4- dihydro- 4- oxo- 3- quinolinecarboxylic Acid Ethyl Ester - CAS 122224-58-2
Catalog: |
BB062902 |
Product Name: |
6, 7- Dichloro- 1, 4- dihydro- 4- oxo- 3- quinolinecarboxylic Acid Ethyl Ester |
CAS: |
122224-58-2 |
Synonyms: |
Ethyl 6,7-Dichloro-4-oxo-1,4-dihydroquinoline-3-carboxylate |
IUPAC Name: | ethyl 6,7-dichloro-4-oxo-1H-quinoline-3-carboxylate |
Description: | 6, 7- Dichloro- 1, 4- dihydro- 4- oxo- 3- quinolinecarboxylic 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: | 286.11 |
Molecular Formula: | C12H9Cl2NO3 |
Canonical SMILES: | CCOC(=O)C1=CNC2=CC(=C(C=C2C1=O)Cl)Cl |
InChI: | InChI=1S/C12H9Cl2NO3/c1-2-18-12(17)7-5-15-10-4-9(14)8(13)3-6(10)11(7)16/h3-5H,2H2,1H3,(H,15,16) |
InChI Key: | PMGNGTDFPXCYNP-UHFFFAOYSA-N |
Solubility: | Hot Diphenyl Ether |
Appearance: | Off-white Solid |
References: | Hoffken, G., et al. Antimicrob. Ag. Chemother., 27, 375 (1985), Scully, B.E., et al. Lancet, 1, 819 (1986). |
Complexity: | 397 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.9959485 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.9959485 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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