Base information
| Cat. No. | |
| CAS No. | 111079-17-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H4ClIN2 |
| Molecular Weight | 254.456 |
| Exact Mass | 253.911 |
| XLogP3 | 2.043 |
| Mr | 44.725 |
| PSA | 25.78 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 13 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cc1ncc(c(n1)Cl)I |
