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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 | CC1=C(SC(=C1Br)Br)C(=O)O |
|---|---|
| IUPAC Name | 4,5-dibromo-3-methylthiophene-2-carboxylic acid |
| InChIKey | KUXNSSLEHIUORH-UHFFFAOYSA-N |
| INCHI | 1S/C6H4Br2O2S/c1-2-3(7)5(8)11-4(2)6(9)10/h1H3,(H,9,10) |
| Isómeros SMILES | CC1=C(SC(=C1Br)Br)C(=O)O |
| PubChem CID | 44248130 |
| Peso molecular | 299.97 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Thiophenes |
| Subclass | Thiophene carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiophene carboxylic acids |
| Alternative Parents | Aryl bromides Heteroaromatic compounds Carboxylic acids Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Thiophene carboxylic acid - Aryl halide - Aryl bromide - Heteroaromatic compound - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as thiophene carboxylic acids. These are compounds containing a thiophene ring which bears a carboxylic acid group. |
| External Descriptors | Not available |
| Peso molecular | 299.970 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 299.828 Da |
| Monoisotopic Mass | 297.83 Da |
| Topological Polar Surface Area | 65.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 176.000 |
| 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 |