| Sonrisas canónicas | C1=CC(=CC(=C1)I)S(=O)(=O)Cl |
|---|---|
| IUPAC Name | 3-iodobenzenesulfonyl chloride |
| InChIKey | PFIYKHNOMGYTGR-UHFFFAOYSA-N |
| INCHI | 1S/C6H4ClIO2S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4H |
| Isómeros SMILES | C1=CC(=CC(=C1)I)S(=O)(=O)Cl |
| PubChem CID | 39766 |
| Peso molecular | 302.51 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzenesulfonyl compounds |
| Intermediate Tree Nodes | Benzenesulfonyl halides |
| Direct Parent | Benzenesulfonyl chlorides |
| Alternative Parents | Iodobenzenes Aryl iodides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organoiodides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonyl chloride - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Organoiodide - Organohalogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzenesulfonyl chlorides. These are aromatic compounds containing a benzenesulfonyl group, where the sulfonyl moiety is singly boned to a chloride atom. |
| External Descriptors | Not available |
| Peso molecular | 302.520 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 301.867 Da |
| Monoisotopic Mass | 301.867 Da |
| Topological Polar Surface Area | 42.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 221.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
