Base information
| Cat. No. | |
| CAS No. | 49678-04-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7BrO |
| Molecular Weight | 211.055 |
| Exact Mass | 209.968 |
| XLogP3 | 2.6612 |
| Mr | 49.24 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=C/C=C/c1ccc(cc1)Br |
