HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,4-diiodo-6-methyl-2H-indazole
3,4-DIIODO-6-METHYL-(1H)INDAZOLE · 1H-Indazole, 3,4-diiodo-6-methyl-
Identifiers & Physical Properties
| CAS No. | 885522-31-6 |
|---|---|
| Molecular formula | C8H6I2N2 |
| Average molar mass | 383.96 g/mol |
| Monoisotopic mass | 383.86204 g/mol |
| SMILES | Cc1cc(I)c2c(I)[nH]nc2c1 |
| InChIKey | LYIBAGLCZLLNOW-UHFFFAOYSA-N |
| PubChem CID | 24728811 |
| DTXSID | DTXSID80646506 |
Chemical & Physical Properties
| XLogP | 3.3 |
|---|---|
| Topological polar surface area | 28.7 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 176 |