Base information
| Cat. No. | |
| CAS No. | 1167055-46-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H5BrN2 |
| Molecular Weight | 221.053 |
| Exact Mass | 219.964 |
| XLogP3 | 2.80208 |
| Mr | 50.7137 |
| PSA | 39.58 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc(c2c1[nH]cc2)Br |
