Base information
| Cat. No. | |
| CAS No. | 196106-96-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H5BrN2O |
| Molecular Weight | 189.01 |
| Exact Mass | 187.959 |
| XLogP3 | 1.5764 |
| Mr | 36.5876 |
| PSA | 58.88 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | NC(=O)c1cc(c[nH]1)Br |
