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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(=C(C=C1CC2=CN=C(S2)N)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | 5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine |
| InChIKey | WVNFYZJWHGLXCF-UHFFFAOYSA-N |
| INCHI | 1S/C11H8ClF3N2S/c12-9-2-1-6(4-8(9)11(13,14)15)3-7-5-17-10(16)18-7/h1-2,4-5H,3H2,(H2,16,17) |
| Isómeros SMILES | C1=CC(=C(C=C1CC2=CN=C(S2)N)C(F)(F)F)Cl |
| PubChem CID | 16227620 |
| Peso molecular | 292.71 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Chlorobenzenes 2,5-disubstituted thiazoles Heteroaromatic compounds Vinyl chlorides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Chloroalkenes Carboximidamides Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Halobenzene - Chlorobenzene - 2,5-disubstituted 1,3-thiazole - Heteroaromatic compound - Thiazole - Azole - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Vinyl halide - Vinyl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
| Peso molecular | 292.710 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 292.005 Da |
| Monoisotopic Mass | 292.005 Da |
| Topological Polar Surface Area | 67.200 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 290.000 |
| 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 |