Compound C13H13Cl4NO2S
2,3,5,6-tetrachloro-4-hexylsulfonylbenzonitrile
| Molecular Formula | C13H13Cl4NO2S |
|---|---|
| Molecular Weight | 389.1 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 66.3 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.93915 |
| Heavy Atoms | 21 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 56916-68-8 |
|---|---|
| SMILES | CCCCCCS(=O)(=O)C1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl |
| InChIKey | RRYNAQHVYUEIAX-UHFFFAOYSA-N |
📖 Product Overview
Compound C13H13Cl4NO2S (CAS: 56916-68-8) is a chemical compound with molecular formula C13H13Cl4NO2S and molecular weight 389.1 g/mol. Its IUPAC systematic name is 2,3,5,6-tetrachloro-4-hexylsulfonylbenzonitrile.
RRYNAQHVYUEIAX-UHFFFAOYSA-N.
SMILES: CCCCCCS(=O)(=O)C1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl.
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