Base information
| Cat. No. | |
| CAS No. | 106-41-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5BrO |
| Molecular Weight | 173.007 |
| Exact Mass | 171.952 |
| XLogP3 | 2.1547 |
| Mr | 36.165 |
| PSA | 20.23 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 13 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Oc1ccc(cc1)Br |
