Base information
| Cat. No. | |
| CAS No. | 3356-92-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6BrNO |
| Molecular Weight | 224.054 |
| Exact Mass | 222.963 |
| XLogP3 | 3.1041 |
| Mr | 49.639 |
| PSA | 26.03 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Brc1onc(c1)c1ccccc1 |
