Base information
| Cat. No. | |
| CAS No. | 7345-79-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7BrO2 |
| Molecular Weight | 227.055 |
| Exact Mass | 225.963 |
| XLogP3 | 2.5469 |
| Mr | 50.8118 |
| PSA | 37.3 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(=O)/C=C/c1ccccc1Br |
