Base information
| Cat. No. | |
| CAS No. | 53474-08-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H10BrNO2 |
| Molecular Weight | 232.074 |
| Exact Mass | 230.989 |
| XLogP3 | 2.6297 |
| Mr | 51.5304 |
| PSA | 44.48 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cc(N)cc(c1OC)Br |
