≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | C/C(=C/C(=O)C1=CC=C(C=C1)Cl)/NC2=CC(=CC=C2)O |
|---|---|
| IUPAC Name | (Z)-1-(4-chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one |
| InChIKey | SNEQASFEVWLKOJ-LUAWRHEFSA-N |
| INCHI | 1S/C16H14ClNO2/c1-11(18-14-3-2-4-15(19)10-14)9-16(20)12-5-7-13(17)8-6-12/h2-10,18-19H,1H3/b11-9- |
| Molecular Weight | 287.74 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoyl derivatives |
| Alternative Parents | m-Aminophenols Aniline and substituted anilines Aryl ketones 1-hydroxy-2-unsubstituted benzenoids Secondary alkylarylamines 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes Aryl chlorides Vinylogous amides Acryloyl compounds Enones Enamines Organic oxides Organochlorides Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminophenol - M-aminophenol - Benzoyl - Aryl ketone - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Secondary aliphatic/aromatic amine - 1-hydroxy-2-unsubstituted benzenoid - Aryl halide - Aryl chloride - Vinylogous amide - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Ketone - Secondary amine - Enamine - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). |
| External Descriptors | Not available |
| Molecular Weight | 287.740 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 287.071 Da |
| Monoisotopic Mass | 287.071 Da |
| Topological Polar Surface Area | 49.300 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 361.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
