Base information
| Cat. No. | |
| CAS No. | 1463-95-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H17BrIN3 |
| Molecular Weight | 446.124 |
| Exact Mass | 444.965 |
| XLogP3 | 0.6197 |
| Mr | 98.2387 |
| PSA | 28.8 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 37 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CC[n+]1c(C=CNc2ccc(cn2)Br)cccc1C.[I-] |
