Base information
| Cat. No. | |
| CAS No. | 1241752-40-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12BrNO2 |
| Molecular Weight | 246.101 |
| Exact Mass | 245.005 |
| XLogP3 | 2.6415 |
| Mr | 54.535 |
| PSA | 31.35 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCCOc1cc(Br)cnc1OC |
