≥90% 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 | COC(=O)C(C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)Cl)C(=O)OC |
|---|---|
| IUPAC Name | dimethyl 2-[4-[(3-chlorobenzoyl)amino]phenyl]propanedioate |
| InChIKey | HUINXFWINSOUFT-UHFFFAOYSA-N |
| INCHI | 1S/C18H16ClNO5/c1-24-17(22)15(18(23)25-2)11-6-8-14(9-7-11)20-16(21)12-4-3-5-13(19)10-12/h3-10,15H,1-2H3,(H,20,21) |
| Isomeric SMILES | COC(=O)C(C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)Cl)C(=O)OC |
| PubChem CID | 3807270 |
| Molecular Weight | 361.78 |
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 | Anilides |
| Intermediate Tree Nodes | Aromatic anilides |
| Direct Parent | Benzanilides |
| Alternative Parents | 3-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Chlorobenzenes Dicarboxylic acids and derivatives Aryl chlorides 1,3-dicarbonyl compounds Methyl esters Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzanilide - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. |
| External Descriptors | Not available |
| Molecular Weight | 361.800 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 361.072 Da |
| Monoisotopic Mass | 361.072 Da |
| Topological Polar Surface Area | 81.700 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 474.000 |
| 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 |
![Dimethyl 2-{4-[(3-chlorobenzoyl)amino]phenyl}malonate - ≥90% , CAS No.866137-14-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)