| CAS Number | 1031929-53-9 |
| Catalog Number | AG0093HV |
| Chemical Name | 7-bromo-3-hydroxyquinoline-4-carboxylic acid |
| IUPAC Name | 7-bromo-3-hydroxyquinoline-4-carboxylic acid |
| InChI | InChI=1S/C10H6BrNO3/c11-5-1-2-6-7(3-5)12-4-8(13)9(6)10(14)15/h1-4,13H,(H,14,15) |
| InChI Key | JPYHBUVBLYNQRC-UHFFFAOYSA-N |
| MDL Number | MFCD10703487 |
| Molecular Formula | C10H6BrNO3 |
| Molecular Weight | 268.0635 |
| SMILES | Brc1ccc2c(c1)ncc(c2C(=O)O)O |
| Synonyms | 7-bromo-3-hydroxyquinoline-4-carboxylic acid,
1031929-53-9,
CTK4A1853,
DTXSID80653674,
MFCD10703487,
ZINC32099832,
AKOS015052591,
DB-058951,
RT-017189,
FT-0744413,
T6122,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.066g/mol |
| Monoisotopic Mass | 266.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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