Base information
| Cat. No. | |
| CAS No. | 1000342-48-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H3BrIN3 |
| Molecular Weight | 347.938 |
| Exact Mass | 346.856 |
| XLogP3 | 2.80168 |
| Mr | 61.2257 |
| PSA | 52.47 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc(Br)c2c(c1)[nH]nc2I |
