Determine the necessary mass, volume, or concentration for preparing a solution.
≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CS(=O)(=O)C1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)C(=O)O |
|---|---|
| IUPAC Name | 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid |
| InChIKey | FYMLPOXBAZJDJK-UHFFFAOYSA-N |
| INCHI | 1S/C15H12N2O4S/c1-22(20,21)12-5-2-10(3-6-12)13-9-17-8-11(15(18)19)4-7-14(17)16-13/h2-9H,1H3,(H,18,19) |
| Isomeric SMILES | CS(=O)(=O)C1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)C(=O)O |
| PubChem CID | 1482206 |
| Molecular Weight | 316.33 |
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 | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Phenylimidazoles |
| Alternative Parents | Pyridinecarboxylic acids Benzenesulfonyl compounds Imidazopyridines Imidazo[1,2-a]pyridines N-substituted imidazoles Vinylogous amides Sulfones Heteroaromatic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 5-phenylimidazole - 4-phenylimidazole - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzenesulfonyl group - Imidazopyridine - Imidazo[1,2-a]pyridine - Benzenoid - Pyridine - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Sulfonyl - Sulfone - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 316.300 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 316.052 Da |
| Monoisotopic Mass | 316.052 Da |
| Topological Polar Surface Area | 97.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 522.000 |
| 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 |