Base information
| Cat. No. | |
| CAS No. | 1060816-22-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6BrNO3 |
| Molecular Weight | 220.021 |
| Exact Mass | 218.953 |
| XLogP3 | 1.6138 |
| Mr | 40.2895 |
| PSA | 52.33 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1cnc(o1)Br |
