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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 | CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)CCl |
|---|---|
| IUPAC Name | 2-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide |
| InChIKey | NKDMKULFMVHJPU-UHFFFAOYSA-N |
| INCHI | 1S/C11H9ClN2O3/c1-14-10(16)7-3-2-6(13-9(15)5-12)4-8(7)11(14)17/h2-4H,5H2,1H3,(H,13,15) |
| Isómeros SMILES | CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)CCl |
| PubChem CID | 19581348 |
| Peso molecular | 252.65 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Isoindoles and derivatives |
| Subclass | Isoindolines |
| Intermediate Tree Nodes | Isoindolones |
| Direct Parent | Phthalimides |
| Alternative Parents | Isoindoles N-arylamides N-substituted carboxylic acid imides Benzenoids Chloroacetamides Secondary carboxylic acid amides Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalimide - Isoindole - N-arylamide - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Chloroacetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl chloride - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Alkyl halide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides. |
| External Descriptors | Not available |
| Peso molecular | 252.650 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 252.03 Da |
| Monoisotopic Mass | 252.03 Da |
| Topological Polar Surface Area | 66.500 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 372.000 |
| 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 |