Base information
| Cat. No. | |
| CAS No. | 111049-68-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H10BrNO3 |
| Molecular Weight | 260.085 |
| Exact Mass | 258.984 |
| XLogP3 | 2.4077 |
| Mr | 56.3179 |
| PSA | 61.55 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1cc(Br)c(cc1OC)N |
