Base information
| Cat. No. | |
| CAS No. | 671793-14-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H9BrN2O2 |
| Molecular Weight | 221.052 |
| Exact Mass | 219.985 |
| XLogP3 | -3.5988 |
| Mr | 44.7908 |
| PSA | 46.11 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(=O)Cn1cc[n+](c1)C.[Br-] |
