| CAS Number | 2140316-61-4 |
| Catalog Number | AG01EHCU |
| Chemical Name | 3,6-Dibromoquinoline-8-carboxylic acid |
| IUPAC Name | 3,6-dibromoquinoline-8-carboxylic acid |
| InChI | InChI=1S/C10H5Br2NO2/c11-6-1-5-2-7(12)4-13-9(5)8(3-6)10(14)15/h1-4H,(H,14,15) |
| InChI Key | YMEKDXHBOGWCIY-UHFFFAOYSA-N |
| MDL Number | MFCD31543991 |
| Molecular Formula | C10H5Br2NO2 |
| Molecular Weight | 330.9602 |
| SMILES | Brc1cc2cc(Br)cnc2c(c1)C(=O)O |
| Synonyms | 3,6-Dibromoquinoline-8-carboxylic acid,
2140316-61-4,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.867g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.963g/mol |
| Monoisotopic Mass | 328.869g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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