| CAS Number | 1019016-07-9 |
| Catalog Number | AG01A97W |
| Chemical Name | 6-Bromo-8-fluoro-4-hydroxyquinoline-3-carboxylic acid |
| IUPAC Name | 6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid |
| InChI | InChI=1S/C10H5BrFNO3/c11-4-1-5-8(7(12)2-4)13-3-6(9(5)14)10(15)16/h1-3H,(H,13,14)(H,15,16) |
| InChI Key | JQJQQEWGNXPSQV-UHFFFAOYSA-N |
| MDL Number | MFCD09861321 |
| Molecular Formula | C10H5BrFNO3 |
| Molecular Weight | 286.0540 |
| SMILES | C1=C(C=C2C(=C1F)NC=C(C2=O)C(=O)O)Br |
| Synonyms | 6-bromo-8-fluoro-4-hydroxyquinoline-3-carboxylic acid,
1019016-07-9,
AC1N7QYY,
AC1Q72IQ,
6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylic Acid,
ZINC6188125,
AKOS005141835,
AKOS009581373,
MCULE-8046955137,
NE22679,
ST51070822,
EN300-64420,
Z1259161901,
CID4306835,
|
| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.056g/mol |
| Monoisotopic Mass | 284.944g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number