| CAS Number | 1864072-59-2 |
| Catalog Number | AG00I1SW(AGN-PC-0WP1SI) |
| Chemical Name | 6-Fluoro-3-[(6-fluoro-4-hydroxyquinolin-3-yl)carbonyl]quinolin-4-ol |
| IUPAC Name | 6-fluoro-3-(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)-1H-quinolin-4-one |
| InChI | InChI=1S/C19H10F2N2O3/c20-9-1-3-15-11(5-9)17(24)13(7-22-15)19(26)14-8-23-16-4-2-10(21)6-12(16)18(14)25/h1-8H,(H,22,24)(H,23,25) |
| InChI Key | IFJLGUCDQVWYRO-UHFFFAOYSA-N |
| MDL Number | MFCD29035399 |
| Molecular Formula | C19H10F2N2O3 |
| Molecular Weight | 352.2911 |
| SMILES | O=C(c1cnc2c(c1O)cc(cc2)F)c1cnc2c(c1O)cc(cc2)F |
| Synonyms | 6-Fluoro-3-[(6-fluoro-4-hydroxyquinolin-3-yl)carbonyl]quinolin-4-ol,
1864072-59-2,
ZINC252487943,
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| Complexity | 660 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 352.297g/mol |
| Monoisotopic Mass | 352.066g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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