Base information
| Cat. No. | |
| CAS No. | 4915-06-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H2BrNO |
| Molecular Weight | 171.979 |
| Exact Mass | 170.932 |
| XLogP3 | 1.91378 |
| Mr | 31.123 |
| PSA | 36.93 |
| Sequence | - |
| Atom number | 10 |
| Bond number | 10 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1ccc(o1)C#N |
