| CAS Number | 1157088-52-2 |
| Catalog Number | AG01E84Z |
| Chemical Name | 6-bromo-8-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| IUPAC Name | 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid |
| InChI | InChI=1S/C10H5BrClNO3/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 | VTXZXRBQSDVNCD-UHFFFAOYSA-N |
| MDL Number | MFCD12192834 |
| Molecular Formula | C10H5BrClNO3 |
| Molecular Weight | 302.5086 |
| SMILES | OC(C1C(=O)C2=C(C(=CC(=C2)Br)Cl)NC=1)=O |
| Synonyms | 6-bromo-8-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid,
1157088-52-2,
ZINC35731168,
AKOS009580236,
MCULE-5450298709,
NE35843,
Z1860991511,
|
| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.914g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.508g/mol |
| Monoisotopic Mass | 300.914g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number