Base information
| Cat. No. | |
| CAS No. | 118449-57-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.07 |
| Exact Mass | 224.979 |
| XLogP3 | 2.74158 |
| Mr | 49.997 |
| PSA | 33.02 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#CCCOc1ccc(cc1)Br |
