| CAS Number | 1019015-91-8 |
| Catalog Number | AG01AHKA |
| Chemical Name | 7-Chloro-8-fluoro-4-hydroxyquinoline-3-carboxylic acid |
| IUPAC Name | 7-chloro-8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid |
| InChI | InChI=1S/C10H5ClFNO3/c11-6-2-1-4-8(7(6)12)13-3-5(9(4)14)10(15)16/h1-3H,(H,13,14)(H,15,16) |
| InChI Key | KJOFIBYCYSWMEM-UHFFFAOYSA-N |
| MDL Number | MFCD09861319 |
| Molecular Formula | C10H5ClFNO3 |
| Molecular Weight | 241.6030 |
| SMILES | OC(C1=C(O)C2=C(C(=C(C=C2)Cl)F)N=C1)=O |
| Synonyms | 7-chloro-8-fluoro-4-hydroxyquinoline-3-carboxylic acid,
1019015-91-8,
ZINC35731184,
MCULE-9078461393,
NE57125,
EN300-75005,
Z1259335823,
|
| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.994199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.6g/mol |
| Monoisotopic Mass | 240.994199g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number