≥98% 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.
| Sonrisas canónicas | C1=CC(=CC=C1C(=O)NC(=C(Cl)Cl)C(=O)O)Cl |
|---|---|
| IUPAC Name | 3,3-dichloro-2-[(4-chlorobenzoyl)amino]prop-2-enoic acid |
| InChIKey | FDIWPUNLGXQNPP-UHFFFAOYSA-N |
| INCHI | 1S/C10H6Cl3NO3/c11-6-3-1-5(2-4-6)9(15)14-7(8(12)13)10(16)17/h1-4H,(H,14,15)(H,16,17) |
| Peso molecular | 294.5 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Benzamides - Hippuric acids and derivatives |
| Direct Parent | Hippuric acids |
| Alternative Parents | N-acyl-alpha amino acids 4-halobenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Secondary carboxylic acid amides Vinyl chlorides Carboxylic acids Chloroalkenes Monocarboxylic acids and derivatives Organonitrogen compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Chloroalkene - Haloalkene - Vinyl halide - Monocarboxylic acid or derivatives - Vinyl chloride - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine. |
| External Descriptors | Not available |
| Peso molecular | 294.500 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 292.941 Da |
| Monoisotopic Mass | 292.941 Da |
| Topological Polar Surface Area | 66.400 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 345.000 |
| 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 |
![3,3-Dichloro-2-[(4-chlorobenzoyl)amino]prop-2-enoic acid - ≥98% , CAS No.61767-29-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)