| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6RGS4ZD7JB |
| EPA CompTox | DTXSID00188392 |
| InChI Key | QMPNFQLVIGPNEI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7Br1O2 |
| Molecular Weight | 213.96 |
| AlogP | 2.27 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 34841-06-0 |
| NORMAN SUSDAT | |
| FDA SRS | 6RGS4ZD7JB |
| PubChem | 98662 |
| ChemSpider | 89103.0 |