Base information
| Cat. No. | |
| CAS No. | 106-40-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6BrN |
| Molecular Weight | 172.023 |
| Exact Mass | 170.968 |
| XLogP3 | 2.6125 |
| Mr | 38.5464 |
| PSA | 26.02 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Nc1ccc(cc1)Br |
