| CAS Number | 143158-55-8 |
| Catalog Number | AG009CPV(AGN-PC-0PTKBG) |
| Chemical Name | 1-CYCLOPROPYL-8-ETHOXY-6,7-DIFLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID |
| IUPAC Name | 1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxoquinoline-3-carboxylic acid |
| InChI | InChI=1S/C15H13F2NO4/c1-2-22-14-11(17)10(16)5-8-12(14)18(7-3-4-7)6-9(13(8)19)15(20)21/h5-7H,2-4H2,1H3,(H,20,21) |
| InChI Key | OPQCGNDAHQOQPC-UHFFFAOYSA-N |
| MDL Number | MFCD30179351 |
| Molecular Formula | C15H13F2NO4 |
| Molecular Weight | 309.2648 |
| SMILES | C1(CC1)N1C=C(C(C2=CC(=C(C(=C12)OCC)F)F)=O)C(=O)O |
| Synonyms | 143158-55-8,
1-Cyclopropyl-8-ethoxy-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid,
1-Cyclopropyl-8-ethoxy-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid,
SCHEMBL8328397,
MFCD30179351,
3-Quinolinecarboxylic acid,1-cyclopropyl-8-ethoxy-6,7-difluoro-1,4-dihydro-4-oxo-,
1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxoquinoline-3-carboxylic acid,
OPQCGNDAHQOQPC-UHFFFAOYSA-N,
|
| Complexity | 520 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.269g/mol |
| Monoisotopic Mass | 309.081g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number