Base information
| Cat. No. | |
| CAS No. | 86-76-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H7BrO |
| Molecular Weight | 247.087 |
| Exact Mass | 245.968 |
| XLogP3 | 4.3485 |
| Mr | 61.42 |
| PSA | 13.14 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 23 |
| Ring number | 3 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1ccc2c(c1)c1ccccc1o2 |
