≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
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 | CC1=C(N=C(S1)C2=CC=CC=N2)OC(=O)C3=C(C(=CC=C3)Cl)Cl |
|---|---|
| IUPAC Name | (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 2,3-dichlorobenzoate |
| InChIKey | FCUUXCAIRJWAPL-UHFFFAOYSA-N |
| INCHI | 1S/C16H10Cl2N2O2S/c1-9-14(20-15(23-9)12-7-2-3-8-19-12)22-16(21)10-5-4-6-11(17)13(10)18/h2-8H,1H3 |
| Isomeric SMILES | CC1=C(N=C(S1)C2=CC=CC=N2)OC(=O)C3=C(C(=CC=C3)Cl)Cl |
| PubChem CID | 3808680 |
| Molecular Weight | 365.24 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | 2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives 2,4,5-trisubstituted thiazoles Benzoyl derivatives Dichlorobenzenes Pyridines and derivatives Aryl chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-halobenzoic acid or derivatives - Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2,4,5-trisubstituted 1,3-thiazole - 1,2-dichlorobenzene - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Pyridine - Azole - Thiazole - Heteroaromatic compound - Vinylogous halide - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| External Descriptors | Not available |
| Molecular Weight | 365.200 g/mol |
|---|---|
| XLogP3 | 5.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 363.984 Da |
| Monoisotopic Mass | 363.984 Da |
| Topological Polar Surface Area | 80.300 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 429.000 |
| 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 |
