Base information
| Cat. No. | |
| CAS No. | 518357-37-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C4H3BrN2O |
| Molecular Weight | 174.983 |
| Exact Mass | 173.943 |
| XLogP3 | 0.9847 |
| Mr | 31.6752 |
| PSA | 45.75 |
| Sequence | - |
| Atom number | 11 |
| Bond number | 11 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Brc1cc(n[nH]1)C=O |
