Base information
| Cat. No. | |
| CAS No. | 21594-52-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H3BrN2O2 |
| Molecular Weight | 215.004 |
| Exact Mass | 213.938 |
| XLogP3 | 1.2786 |
| Mr | 42.3297 |
| PSA | 58.89 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 15 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1cc2oc(=O)[nH]c2nc1 |
