Base information
| Cat. No. | |
| CAS No. | 169045-04-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8BrNO3 |
| Molecular Weight | 246.058 |
| Exact Mass | 244.969 |
| XLogP3 | 2.3193 |
| Mr | 51.9977 |
| PSA | 72.55 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cc(N)c(cc1Br)C(=O)O |
