| Canonical Smiles | C1=C(C(=CC(=C1Cl)Br)S(=O)(=O)Cl)F |
|---|---|
| IUPAC Name | 5-bromo-4-chloro-2-fluorobenzenesulfonyl chloride |
| InChIKey | PXPORJQFAPJYFL-UHFFFAOYSA-N |
| INCHI | 1S/C6H2BrCl2FO2S/c7-3-1-6(13(9,11)12)5(10)2-4(3)8/h1-2H |
| Isomeric SMILES | C1=C(C(=CC(=C1Cl)Br)S(=O)(=O)Cl)F |
| PubChem CID | 56604734 |
| Molecular Weight | 307.95 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonyl compounds |
| Intermediate Tree Nodes | Benzenesulfonyl halides |
| Direct Parent | Benzenesulfonyl chlorides |
| Alternative Parents | Fluorobenzenes Chlorobenzenes Bromobenzenes Aryl fluorides Aryl chlorides Aryl bromides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organofluorides Organochlorides Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonyl chloride - Bromobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organochloride - Organofluoride - Organosulfur compound - Aromatic homomonocyclic compound |
| Description | 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 |
| Molecular Weight | 307.950 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 305.832 Da |
| Monoisotopic Mass | 305.832 Da |
| Topological Polar Surface Area | 42.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 279.000 |
| 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 |
