Base information
| Cat. No. | |
| CAS No. | 40774-41-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7BrO |
| Molecular Weight | 211.055 |
| Exact Mass | 209.968 |
| XLogP3 | 2.709 |
| Mr | 47.3585 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1CC(c2c1cccc2)Br |
