≥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=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)C(=O)C(=O)O |
|---|---|
| IUPAC Name | 2-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetic acid |
| InChIKey | VFSUSQCHONHNDV-UHFFFAOYSA-N |
| INCHI | 1S/C14H11Cl2NO3/c1-7-5-10(13(18)14(19)20)8(2)17(7)9-3-4-11(15)12(16)6-9/h3-6H,1-2H3,(H,19,20) |
| Isomeric SMILES | CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)C(=O)C(=O)O |
| PubChem CID | 2305609 |
| Molecular Weight | 312.15 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrroles |
| Subclass | Substituted pyrroles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrroles |
| Alternative Parents | Dichlorobenzenes Aryl ketones Aryl chlorides Alpha-keto acids and derivatives Vinylogous amides Heteroaromatic compounds Alpha-hydroxy ketones Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1-phenylpyrrole - Aryl ketone - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Alpha-keto acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Keto acid - Alpha-hydroxy ketone - Heteroaromatic compound - Vinylogous amide - Ketone - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 312.100 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 311.012 Da |
| Monoisotopic Mass | 311.012 Da |
| Topological Polar Surface Area | 59.300 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 404.000 |
| 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-[1-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic acid - ≥90% , CAS No.866152-55-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)