Base information
| Cat. No. | |
| CAS No. | 1227311-09-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8IN |
| Molecular Weight | 257.071 |
| Exact Mass | 256.97 |
| XLogP3 | 2.77968 |
| Mr | 53.806 |
| PSA | 23.79 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc(C)c(c(c1)C)I |
