Base information
| Cat. No. | |
| CAS No. | 1246088-55-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5BrINO2 |
| Molecular Weight | 329.918 |
| Exact Mass | 328.855 |
| XLogP3 | 2.1629 |
| Mr | 53.169 |
| PSA | 42.35 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1c(Br)ncc(c1O)I |
