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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=C(N=C(S1)CC(=O)O)Cl |
|---|---|
| IUPAC Name | 2-(4-chloro-1,3-thiazol-2-yl)acetic acid |
| InChIKey | QYWLJHJXNDAOSH-UHFFFAOYSA-N |
| INCHI | 1S/C5H4ClNO2S/c6-3-2-10-4(7-3)1-5(8)9/h2H,1H2,(H,8,9) |
| Isomeric SMILES | C1=C(N=C(S1)CC(=O)O)Cl |
| Alternate CAS | 1392804-23-7 |
| PubChem CID | 72208193 |
| Molecular Weight | 177.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Thiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2,4-disubstituted thiazoles |
| Alternative Parents | Aryl chlorides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,4-disubstituted 1,3-thiazole - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3. |
| External Descriptors | Not available |
| Molecular Weight | 177.610 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 176.965 Da |
| Monoisotopic Mass | 176.965 Da |
| Topological Polar Surface Area | 78.400 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 144.000 |
| 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 |