| CAS Number | 110335-37-0 |
| Catalog Number | AG00HBPC |
| Chemical Name | 5-Bromoquinoline oxalate |
| IUPAC Name | 5-bromoquinoline;oxalic acid |
| InChI | InChI=1S/C9H6BrN.C2H2O4/c10-8-4-1-5-9-7(8)3-2-6-11-9;3-1(4)2(5)6/h1-6H;(H,3,4)(H,5,6) |
| InChI Key | JTHPWMZDXNVNHI-UHFFFAOYSA-N |
| MDL Number | MFCD09832400 |
| Molecular Formula | C11H15NO2S |
| Molecular Weight | 225.3073 |
| SMILES | OC(=O)C(=O)O.Brc1cccc2c1cccn2 |
| Synonyms | 5-bromoquinoline oxalate,
110335-37-0,
MIX-0103,
ZX-BK000649,
AKOS005144081,
H9023,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.092g/mol |
| Monoisotopic Mass | 296.964g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 87.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number