≥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=C(C1=O)C=CC(=C2)Cl |
|---|---|
| IUPAC Name | 6-chloro-2-methyl-4H-isoquinoline-1,3-dione |
| InChIKey | GVKSVDOCGBVIMT-UHFFFAOYSA-N |
| INCHI | 1S/C10H8ClNO2/c1-12-9(13)5-6-4-7(11)2-3-8(6)10(12)14/h2-4H,5H2,1H3 |
| Molecular Weight | 209.63 |
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 | Isoquinolines and derivatives |
| Subclass | 1,3-isoquinolinediones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,3-isoquinolinediones |
| Alternative Parents | Isoquinolones and derivatives Tetrahydroisoquinolines N-substituted carboxylic acid imides Benzenoids Aryl chlorides Dicarboximides Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,3-isoquinolinedione - Isoquinolone - Tetrahydroisoquinoline - Aryl chloride - Aryl halide - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,3-isoquinolinediones. These are isoquinoline derivatives carrying one C=O group at positions 1, and 3 respectively. |
| External Descriptors | Not available |
| Molecular Weight | 209.630 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 209.024 Da |
| Monoisotopic Mass | 209.024 Da |
| Topological Polar Surface Area | 37.400 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 279.000 |
| 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 |
