Base information
| Cat. No. | |
| CAS No. | 36958-61-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H6BrNO |
| Molecular Weight | 176.011 |
| Exact Mass | 174.963 |
| XLogP3 | 1.8779 |
| Mr | 34.305 |
| PSA | 26.03 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Cc1cc(on1)CBr |
