≥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(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(CO)O |
|---|---|
| IUPAC Name | 2,3-dihydroxypropyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate |
| InChIKey | AXVIECLQBNZXKG-UHFFFAOYSA-N |
| INCHI | 1S/C22H22ClNO6/c1-13-18(10-21(27)30-12-16(26)11-25)19-9-17(29-2)7-8-20(19)24(13)22(28)14-3-5-15(23)6-4-14/h3-9,16,25-26H,10-12H2,1-2H3 |
| Molecular Weight | 431.900 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Benzoylindoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoylindoles |
| Alternative Parents | Indole-3-acetic acid derivatives Indolecarboxylic acids and derivatives 3-alkylindoles 4-halobenzoic acids and derivatives 1-monoacylglycerols Anisoles Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Substituted pyrroles Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Secondary alcohols 1,2-diols Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Primary alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoylindole - Indole-3-acetic acid derivative - Indolecarboxylic acid derivative - Indolyl carboxylic acid derivative - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-alkylindole - Benzoic acid or derivatives - Indole - Monoradylglycerol - 1-acyl-sn-glycerol - Benzoyl - Monoacylglycerol - Anisole - Chlorobenzene - Glycerolipid - Halobenzene - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Pyrrole - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Azacycle - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoylindoles. These are organic compounds containing an indole attached to a benzoyl moiety through the acyl group. |
| External Descriptors | Not available |
| Molecular Weight | 431.900 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 431.114 Da |
| Monoisotopic Mass | 431.114 Da |
| Topological Polar Surface Area | 98.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 596.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2,3-dihydroxypropyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate - ≥95% CAS No(71848-87-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/9/D955046.jpg)