Base information
| Cat. No. | |
| CAS No. | 877-35-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H11BrO |
| Molecular Weight | 227.098 |
| Exact Mass | 225.999 |
| XLogP3 | 3.0428 |
| Mr | 54.1205 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCC(C(=O)c1ccccc1)Br |
