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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.
| Canonical Smiles | C1=C(SC(=C1)Br)C(F)(F)F |
|---|---|
| IUPAC Name | 2-bromo-5-(trifluoromethyl)thiophene |
| InChIKey | YEOCVAKZWADJPV-UHFFFAOYSA-N |
| INCHI | 1S/C5H2BrF3S/c6-4-2-1-3(10-4)5(7,8)9/h1-2H |
| Isomeric SMILES | C1=C(SC(=C1)Br)C(F)(F)F |
| Alternate CAS | 143469-22-1 |
| PubChem CID | 26596761 |
| Molecular Weight | 231.03 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thiophenes |
| Subclass | 2,5-disubstituted thiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2,5-disubstituted thiophenes |
| Alternative Parents | Aryl bromides Heteroaromatic compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,5-disubstituted thiophene - Aryl halide - Aryl bromide - Heteroaromatic compound - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions. |
| External Descriptors | Not available |
| Molecular Weight | 231.040 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 229.901 Da |
| Monoisotopic Mass | 229.901 Da |
| Topological Polar Surface Area | 28.200 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 125.000 |
| 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 |