Base information
| Cat. No. | |
| CAS No. | 16727-44-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7Br2NO2 |
| Molecular Weight | 296.944 |
| Exact Mass | 294.884 |
| XLogP3 | 2.6238 |
| Mr | 52.621 |
| PSA | 31.35 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1nc(OC)c(cc1Br)Br |
