Base information
| Cat. No. | |
| CAS No. | 542-11-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8BrN |
| Molecular Weight | 174.038 |
| Exact Mass | 172.984 |
| XLogP3 | 2.8081 |
| Mr | 40.8854 |
| PSA | 26.02 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Nc1ccccc1.Br |
