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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CS(=O)(=O)N(CCO)C1=C2C(=CC(=C1Cl)Cl)NC(=O)C(=O)N2 |
|---|---|
| IUPAC Name | N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(2-hydroxyethyl)methanesulfonamide |
| InChIKey | BGJHUMNCODFLCH-UHFFFAOYSA-N |
| INCHI | 1S/C11H11Cl2N3O5S/c1-22(20,21)16(2-3-17)9-7(13)5(12)4-6-8(9)15-11(19)10(18)14-6/h4,17H,2-3H2,1H3,(H,14,18)(H,15,19) |
| Isomeric SMILES | CS(=O)(=O)N(CCO)C1=C2C(=CC(=C1Cl)Cl)NC(=O)C(=O)N2 |
| Alternate CAS | 178908-09-3 |
| PubChem CID | 9842188 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinoxalines |
| Alternative Parents | Sulfanilides Pyrazines Organosulfonamides Organic sulfonamides Aryl chlorides Heteroaromatic compounds Aminosulfonyl compounds Lactams Azacyclic compounds Alkanolamines Primary alcohols Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoxaline - Sulfanilide - Aryl chloride - Aryl halide - Pyrazine - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Aminosulfonyl compound - Sulfonyl - Heteroaromatic compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactam - Azacycle - Alkanolamine - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring. |
| External Descriptors | Not available |
| Molecular Weight | 368.200 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 366.98 Da |
| Monoisotopic Mass | 366.98 Da |
| Topological Polar Surface Area | 124.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 567.000 |
| 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 |