≥95% 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 | CN1C(=O)CC2=C1C=CC(=C2)C(=O)CCl |
|---|---|
| IUPAC Name | 5-(2-chloroacetyl)-1-methyl-3H-indol-2-one |
| InChIKey | RRFQHTVONYSCEQ-UHFFFAOYSA-N |
| INCHI | 1S/C11H10ClNO2/c1-13-9-3-2-7(10(14)6-12)4-8(9)5-11(13)15/h2-4H,5-6H2,1H3 |
| Isomeric SMILES | CN1C(=O)CC2=C1C=CC(=C2)C(=O)CCl |
| PubChem CID | 7130799 |
| Molecular Weight | 223.65 |
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 | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indoles and derivatives |
| Alternative Parents | Aryl alkyl ketones Benzenoids Tertiary carboxylic acid amides Alpha-chloroketones Lactams Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole or derivatives - Aryl alkyl ketone - Aryl ketone - Benzenoid - Alpha-haloketone - Alpha-chloroketone - Tertiary carboxylic acid amide - Carboxamide group - Ketone - Lactam - Carboxylic acid derivative - Azacycle - Alkyl chloride - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. |
| External Descriptors | Not available |
| Molecular Weight | 223.650 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 223.04 Da |
| Monoisotopic Mass | 223.04 Da |
| Topological Polar Surface Area | 37.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 292.000 |
| 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 |
