HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Bromo-4-hydroxy-isoquinoline-3-carboxylic acid
Identifiers & Physical Properties
| Molecular formula | C10H6BrNO3 |
|---|---|
| Average molar mass | 268.06 g/mol |
| Monoisotopic mass | 266.95311 g/mol |
| SMILES | O=C(O)c1nc(Br)c2ccccc2c1O |
| InChIKey | SAMPWEJQPSRAJO-UHFFFAOYSA-N |
| PubChem CID | 86014613 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 70.4 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 261 |