Base information
| Cat. No. | |
| CAS No. | 108004-86-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8BrNO2 |
| Molecular Weight | 218.048 |
| Exact Mass | 216.974 |
| XLogP3 | 2.1946 |
| Mr | 46.762 |
| PSA | 34.69 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C)[n+](cc1Br)[O-] |
