Base information
| Cat. No. | |
| CAS No. | 116632-57-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7BrN2 |
| Molecular Weight | 223.069 |
| Exact Mass | 221.979 |
| XLogP3 | 3.1607 |
| Mr | 53.8474 |
| PSA | 38.91 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1cnc2c(c1)c(N)ccc2 |
