Base information
| Cat. No. | |
| CAS No. | 846048-15-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6BrNO3 |
| Molecular Weight | 232.031 |
| Exact Mass | 230.953 |
| XLogP3 | 0.846 |
| Mr | 46.6233 |
| PSA | 59.3 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Brc1cn(C)c(=O)c(c1)C(=O)O |
