Base information
| Cat. No. | |
| CAS No. | 605647-69-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12BrNO2 |
| Molecular Weight | 246.101 |
| Exact Mass | 245.005 |
| XLogP3 | 1.5024 |
| Mr | 53.753 |
| PSA | 66.48 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]([C@@H](c1ccc(cc1)Br)O)N |
