| CAS Number | 338795-16-7 |
| Catalog Number | AG00IUSB(AGN-PC-0WAV4Z) |
| Chemical Name | Ethyl 6-chloro-8-fluoro-4-hydroxyquinoline-3-carboxylate |
| IUPAC Name | ethyl 6-chloro-8-fluoro-4-oxo-1H-quinoline-3-carboxylate |
| InChI | InChI=1S/C12H9ClFNO3/c1-2-18-12(17)8-5-15-10-7(11(8)16)3-6(13)4-9(10)14/h3-5H,2H2,1H3,(H,15,16) |
| InChI Key | FKWWQXHJVQYKOM-UHFFFAOYSA-N |
| MDL Number | MFCD00173397 |
| Molecular Formula | C12H9ClFNO3 |
| Molecular Weight | 269.6562 |
| SMILES | ClC1(=CC(F)=C2(N=CC(=C(C2(=C1))O)C(=O)OCC)) |
| Synonyms | ethyl 6-chloro-8-fluoro-4-hydroxy-3-quinolinecarboxylate,
338795-16-7,
ethyl 6-chloro-8-fluoro-4-hydroxyquinoline-3-carboxylate,
AC1MWRA7,
Oprea1_785429,
Ethyl 6-chloro-8-fluoro-4-oxo-1H-quinoline-3-carboxylate,
KS-00001YE9,
ZINC3118799,
MFCD00173397,
AKOS005097499,
MCULE-9542679190,
6J-037,
CID3803812,
|
| Complexity | 399 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.656g/mol |
| Monoisotopic Mass | 269.025g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number