| CAS Number | 185011-40-9 |
| Catalog Number | AG00ASZ3(AGN-PC-0CDJ50) |
| Chemical Name | Ethyl 5-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate |
| IUPAC Name | ethyl 5-fluoro-4-oxo-1H-quinoline-3-carboxylate |
| InChI | InChI=1S/C12H10FNO3/c1-2-17-12(16)7-6-14-9-5-3-4-8(13)10(9)11(7)15/h3-6H,2H2,1H3,(H,14,15) |
| InChI Key | YKMHZVBKYDKXQO-UHFFFAOYSA-N |
| MDL Number | MFCD28143262 |
| Molecular Formula | C12H10FNO3 |
| Molecular Weight | 235.2111 |
| SMILES | FC1=C2C(C(=CNC2=CC=C1)C(=O)OCC)=O |
| Synonyms | 185011-40-9,
655236-29-6,
ethyl 5-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate,
5-Fluoro-4-hydroxy-quinoline-3-carboxylic acid ethyl ester,
3-Quinolinecarboxylic acid, 5-fluoro-4-hydroxy-, ethyl ester,
SCHEMBL2285923,
CTK1J6559,
DTXSID60729189,
YKMHZVBKYDKXQO-UHFFFAOYSA-N,
5-Fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester,
AKOS027427566,
AKOS030566357,
3-Quinolinecarboxylic acid, 5-fluoro-1,4-dihydro-4-oxo-, ethyl ester,
ethyl 5-fluoro-4-oxo-1H-quinoline-3-carboxylate,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.214g/mol |
| Monoisotopic Mass | 235.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number