Base information
| Cat. No. | |
| CAS No. | 17210-51-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H12BrNO2 |
| Molecular Weight | 222.08 |
| Exact Mass | 221.005 |
| XLogP3 | 1.366 |
| Mr | 51.2157 |
| PSA | 38.33 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)C1=CCCNC1.Br |
