Base information
| Cat. No. | |
| CAS No. | 13091-43-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 230.059 |
| Exact Mass | 228.974 |
| XLogP3 | 2.6191 |
| Mr | 50.4717 |
| PSA | 63.32 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Cc1cc(Br)c(c(c1)C(=O)O)N |
