Base information
| Cat. No. | |
| CAS No. | 16927-13-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7BrO |
| Molecular Weight | 199.045 |
| Exact Mass | 197.968 |
| XLogP3 | 2.3215 |
| Mr | 44.285 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=CC(c1ccccc1)Br |
