Base information
| Cat. No. | |
| CAS No. | 342617-08-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BrN3 |
| Molecular Weight | 224.057 |
| Exact Mass | 222.975 |
| XLogP3 | 2.2342 |
| Mr | 49.5187 |
| PSA | 41.57 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Brc1cccc(c1)c1ncn[nH]1 |
