| CAS Number | 622369-35-1 |
| Catalog Number | AG00EERC(AGN-PC-0T3BTW) |
| Chemical Name | Ethyl 7-fluoro-6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| IUPAC Name | ethyl 7-fluoro-6-methoxy-4-oxo-1H-quinoline-3-carboxylate |
| InChI | InChI=1S/C13H12FNO4/c1-3-19-13(17)8-6-15-10-5-9(14)11(18-2)4-7(10)12(8)16/h4-6H,3H2,1-2H3,(H,15,16) |
| InChI Key | FUJNUQDCBRIKRF-UHFFFAOYSA-N |
| MDL Number | MFCD18157738 |
| Molecular Formula | C13H12FNO4 |
| Molecular Weight | 265.2371 |
| SMILES | CCOC(C1C(=O)C2=C(C=C(C(=C2)OC)F)NC=1)=O |
| Synonyms | ETHYL 7-FLUORO-4-HYDROXY-6-METHOXYQUINOLINE-3-CARBOXYLATE,
622369-35-1,
851973-16-5,
Ethyl 7-fluoro-6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate,
ethyl 7-fluoro-1,4-dihydro-6-methoxy-4-oxoquinoline-3-carboxylate,
7-Fluoro-1,4-dihydro-6-methoxy-4-oxo-3-quinolinecarboxylic Acid Ethyl Ester,
Ethyl 7-Fluoro-6-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylate,
FUJNUQDCBRIKRF-UHFFFAOYSA-N,
SCHEMBL2031515,
DTXSID60478620,
ZINC38877828,
BP-20260,
FT-0668686,
FT-0708233,
ethyl 7-fluoro-4-hydroxy-6-methoxy-quinoline-3-carboxylate,
|
| Complexity | 409 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.24g/mol |
| Monoisotopic Mass | 265.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number