| CAS Number | 172602-83-4 |
| Catalog Number | AG00ABZA(AGN-PC-0WH45K) |
| Chemical Name | Ethyl 1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| IUPAC Name | ethyl 1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxoquinoline-3-carboxylate |
| InChI | InChI=1S/C17H17F2NO4/c1-3-23-16-13(19)12(18)7-10-14(16)20(9-5-6-9)8-11(15(10)21)17(22)24-4-2/h7-9H,3-6H2,1-2H3 |
| InChI Key | HVSSSDATQQUFJP-UHFFFAOYSA-N |
| MDL Number | MFCD30186988 |
| Molecular Formula | C17H17F2NO4 |
| Molecular Weight | 337.3180 |
| SMILES | O=C(C1=CN(C2CC2)C3=C(C=C(F)C(F)=C3OCC)C1=O)OCC |
| Synonyms | 172602-83-4,
Ethyl 1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate,
AKOS027447353,
ethyl 1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxoquinoline-3-carboxylate,
1-Cyclopropyl-8-ethoxy-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid Ethyl Ester,
HVSSSDATQQUFJP-UHFFFAOYSA-N,
CID10806839,
Ethyl 1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxo-quinoline-3-carboxylate,
|
| Complexity | 549 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.323g/mol |
| Monoisotopic Mass | 337.113g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number