Base information
| Cat. No. | |
| CAS No. | 1380917-35-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H12BrIN2O |
| Molecular Weight | 407.045 |
| Exact Mass | 405.918 |
| XLogP3 | 4.1025 |
| Mr | 79.611 |
| PSA | 27.05 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 31 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Brc1ccc2c(c1)c(I)nn2C1CCCCO1 |
