Base information
| Cat. No. | |
| CAS No. | 1227268-98-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6BrIN2O |
| Molecular Weight | 328.933 |
| Exact Mass | 327.871 |
| XLogP3 | 2.6207 |
| Mr | 55.5504 |
| PSA | 48.14 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1ncc(c(c1Br)N)I |
