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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Sonrisas canónicas | C1CN(C1)C(=O)C2=CN=C(C=N2)Cl |
|---|---|
| IUPAC Name | azetidin-1-yl-(5-chloropyrazin-2-yl)methanone |
| InChIKey | WIFSSWYPPHSSIV-UHFFFAOYSA-N |
| INCHI | 1S/C8H8ClN3O/c9-7-5-10-6(4-11-7)8(13)12-2-1-3-12/h4-5H,1-3H2 |
| Isómeros SMILES | C1CN(C1)C(=O)C2=CN=C(C=N2)Cl |
| CAS alternativo | 915948-98-0 |
| PubChem CID | 46870328 |
| Peso molecular | 197.62 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazines |
| Subclass | Pyrazines |
| Intermediate Tree Nodes | Pyrazine carboxylic acids and derivatives |
| Direct Parent | Pyrazinecarboxamides |
| Alternative Parents | 2-heteroaryl carboxamides Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Azetidines Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrazinecarboxamide - 2-heteroaryl carboxamide - Aryl chloride - Aryl halide - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Azetidine - Carboxamide group - Tertiary amine - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrazinecarboxamides. These are compounds containing a pyrazine ring which bears a carboxamide. |
| External Descriptors | Not available |
| Peso molecular | 197.620 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 197.036 Da |
| Monoisotopic Mass | 197.036 Da |
| Topological Polar Surface Area | 46.100 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 208.000 |
| 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 |