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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(=CC(=C1)OC(F)(F)F)C2=CC=C(S2)C(=O)O |
|---|---|
| IUPAC Name | 5-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxylic acid |
| InChIKey | QXAXDPBEGZAJOF-UHFFFAOYSA-N |
| INCHI | 1S/C12H7F3O3S/c13-12(14,15)18-8-3-1-2-7(6-8)9-4-5-10(19-9)11(16)17/h1-6H,(H,16,17) |
| Peso molecular | 288.24 |
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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 | Phenoxy compounds Phenol ethers 2,5-disubstituted thiophenes Heteroaromatic compounds Trihalomethanes Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Thiophene carboxylic acid - 2,5-disubstituted thiophene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Trihalomethane - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Halomethane - Hydrocarbon derivative - 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 | 288.240 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 288.007 Da |
| Monoisotopic Mass | 288.007 Da |
| Topological Polar Surface Area | 74.800 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 335.000 |
| 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 |