Base information
| Cat. No. | |
| CAS No. | 3815-31-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H9BrO |
| Molecular Weight | 225.082 |
| Exact Mass | 223.984 |
| XLogP3 | 3.0513 |
| Mr | 54.047 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(=O)/C=C/c1ccc(cc1)Br |
