Base information
| Cat. No. | |
| CAS No. | 1227571-09-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6BrNO |
| Molecular Weight | 188.022 |
| Exact Mass | 186.963 |
| XLogP3 | 1.8581 |
| Mr | 38.926 |
| PSA | 33.12 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Oc1ccnc(c1C)Br |
