Base information
| Cat. No. | |
| CAS No. | 72479-05-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H8BrNO |
| Molecular Weight | 178.027 |
| Exact Mass | 176.979 |
| XLogP3 | 0.9887 |
| Mr | 38.8217 |
| PSA | 29.1 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | BrC[C@@H]1CCC(=O)N1 |
