≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | C1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C=O |
|---|---|
| IUPAC Name | 1-benzoylindole-3-carbaldehyde |
| InChIKey | QMNJJAQYGLNGGN-UHFFFAOYSA-N |
| INCHI | 1S/C16H11NO2/c18-11-13-10-17(15-9-5-4-8-14(13)15)16(19)12-6-2-1-3-7-12/h1-11H |
| Isomeric SMILES | C1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C=O |
| Alternate CAS | 27092-42-8 |
| PubChem CID | 363329 |
| NSC Number | 628186 |
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 | Indoles and derivatives |
| Subclass | Benzoylindoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoylindoles |
| Alternative Parents | Indolecarboxylic acids and derivatives Indoles Benzoic acids and derivatives Benzoyl derivatives Aryl-aldehydes Substituted pyrroles Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoylindole - Indolecarboxylic acid derivative - Benzoic acid or derivatives - Indole - Benzoyl - Aryl-aldehyde - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous amide - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - 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 |
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| Molecular Weight | 249.260 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 249.079 Da |
| Monoisotopic Mass | 249.079 Da |
| Topological Polar Surface Area | 39.100 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 349.000 |
| 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 |
