Base information
| Cat. No. | |
| CAS No. | 36953-44-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H3BrN2 |
| Molecular Weight | 170.995 |
| Exact Mass | 169.948 |
| XLogP3 | 1.64888 |
| Mr | 33.2077 |
| PSA | 39.58 |
| Sequence | - |
| Atom number | 11 |
| Bond number | 11 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1ccc([nH]1)C#N |
