Base information
| Cat. No. | |
| CAS No. | 42718-15-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 244.085 |
| Exact Mass | 242.989 |
| XLogP3 | 2.3222 |
| Mr | 52.7144 |
| PSA | 52.32 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)C(c1ccc(cc1)Br)N |
