| CAS Number | 1592590-69-6 |
| Catalog Number | AG00IMPX |
| Chemical Name | 3-Quinolinecarboxylic acid, 5,7-difluoro-1,2-dihydro-2-oxo- |
| IUPAC Name | 5,7-difluoro-2-oxo-1H-quinoline-3-carboxylic acid |
| InChI | InChI=1S/C10H5F2NO3/c11-4-1-7(12)5-3-6(10(15)16)9(14)13-8(5)2-4/h1-3H,(H,13,14)(H,15,16) |
| InChI Key | XJGFLKVTRHHAHA-UHFFFAOYSA-N |
| MDL Number | MFCD31382008 |
| Molecular Formula | C10H5F2NO3 |
| Molecular Weight | 225.1484 |
| SMILES | O=C(C2=CC1=C(NC2=O)C=C(F)C=C1F)O |
| Synonyms | 1592590-69-6,
AS-70749,
5,7-difluoro-2-oxo-1,2-dihydroquinoline-3-carboxylic acid,
3-Quinolinecarboxylic acid,5,7-difluoro-1,2-dihydro-2-oxo-,
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| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.023749g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.15g/mol |
| Monoisotopic Mass | 225.023749g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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