≥97% 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 | C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC=CC=C3Cl)C(=O)O |
|---|---|
| IUPAC Name | 2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzoic acid |
| InChIKey | GQZDHSAELUMAAQ-UHFFFAOYSA-N |
| INCHI | 1S/C15H9ClN2O3/c16-12-8-4-3-7-11(12)14-18-17-13(21-14)9-5-1-2-6-10(9)15(19)20/h1-8H,(H,19,20) |
| Molecular Weight | 300.69 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 acids |
| Alternative Parents | Benzoyl derivatives Chlorobenzenes Aryl chlorides Heteroaromatic compounds 1,3,4-oxadiazoles Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzoic acid - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group. |
| External Descriptors | Not available |
| Molecular Weight | 300.690 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 300.03 Da |
| Monoisotopic Mass | 300.03 Da |
| Topological Polar Surface Area | 76.200 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 382.000 |
| 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 |
![2-[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]benzoic acid - ≥97% , CAS No.56894-41-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)