Base information
| Cat. No. | |
| CAS No. | 38449-59-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12BrNO |
| Molecular Weight | 218.091 |
| Exact Mass | 217.01 |
| XLogP3 | 2.5518 |
| Mr | 50.9844 |
| PSA | 46.25 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | NCCc1cccc(c1)O.Br |
