Base information
| Cat. No. | |
| CAS No. | 161836-12-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H4BrN3O |
| Molecular Weight | 214.019 |
| Exact Mass | 212.954 |
| XLogP3 | 1.0137 |
| Mr | 44.4144 |
| PSA | 61.54 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 16 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=c1[nH]c2c([nH]1)cncc2Br |
