| Sonrisas canónicas | CCCOC1=C(C=C(C=C1)Br)S(=O)(=O)Cl |
|---|---|
| IUPAC Name | 5-bromo-2-propoxybenzenesulfonyl chloride |
| InChIKey | RGCZSGFZDFOXHT-UHFFFAOYSA-N |
| INCHI | 1S/C9H10BrClO3S/c1-2-5-14-8-4-3-7(10)6-9(8)15(11,12)13/h3-4,6H,2,5H2,1H3 |
| Isómeros SMILES | CCCOC1=C(C=C(C=C1)Br)S(=O)(=O)Cl |
| PubChem CID | 45156417 |
| Peso molecular | 313.59 |
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 | Phenoxy compounds Phenol ethers Bromobenzenes Alkyl aryl ethers Aryl bromides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonyl chloride - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Ether - Organobromide - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - 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 | 313.600 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 311.922 Da |
| Monoisotopic Mass | 311.922 Da |
| Topological Polar Surface Area | 51.800 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 288.000 |
| 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 |
