Base information
| Cat. No. | |
| CAS No. | 52780-14-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9BrO |
| Molecular Weight | 201.06 |
| Exact Mass | 199.984 |
| XLogP3 | 2.5024 |
| Mr | 45.0768 |
| PSA | 20.23 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Brc1cccc(c1)C(O)C |
