≥95% 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 | CC1=C(C(=C(N1C(C)C)C)C(=O)OC)C(=O)CCl |
|---|---|
| IUPAC Name | methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxylate |
| InChIKey | JTGWBCIOCWVQJO-UHFFFAOYSA-N |
| INCHI | 1S/C13H18ClNO3/c1-7(2)15-8(3)11(10(16)6-14)12(9(15)4)13(17)18-5/h7H,6H2,1-5H3 |
| Molecular Weight | 271.740 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones |
| Direct Parent | Aryl alkyl ketones |
| Alternative Parents | Pyrrole carboxylic acids and derivatives Substituted pyrroles Vinylogous amides Methyl esters Heteroaromatic compounds Alpha-chloroketones Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrrole-3-carboxylic acid or derivatives - Aryl alkyl ketone - Substituted pyrrole - Alpha-haloketone - Pyrrole - Alpha-chloroketone - Methyl ester - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Alkyl halide - Alkyl chloride - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. |
| External Descriptors | Not available |
| Molecular Weight | 271.740 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 271.098 Da |
| Monoisotopic Mass | 271.098 Da |
| Topological Polar Surface Area | 48.300 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 332.000 |
| 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 |
