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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 | C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=C(SC=C3)Br |
|---|---|
| IUPAC Name | 2-[(2-bromothiophen-3-yl)methyl]isoindole-1,3-dione |
| InChIKey | PEXSAHYRRSXSND-UHFFFAOYSA-N |
| INCHI | 1S/C13H8BrNO2S/c14-11-8(5-6-18-11)7-15-12(16)9-3-1-2-4-10(9)13(15)17/h1-6H,7H2 |
| Peso molecular | 322.18 |
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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-substituted carboxylic acid imides Benzenoids Aryl bromides Thiophenes Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalimide - Isoindole - Aryl bromide - Aryl halide - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Heteroaromatic compound - Thiophene - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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 | 322.180 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 320.946 Da |
| Monoisotopic Mass | 320.946 Da |
| Topological Polar Surface Area | 65.600 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 352.000 |
| 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 |