≥90% 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 | C1C2C1C(N(C2)C(=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)O |
|---|---|
| IUPAC Name | 3-(2,4-dichlorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid |
| InChIKey | PPJAJGGQNARTGA-UHFFFAOYSA-N |
| INCHI | 1S/C13H11Cl2NO3/c14-7-1-2-8(10(15)4-7)12(17)16-5-6-3-9(6)11(16)13(18)19/h1-2,4,6,9,11H,3,5H2,(H,18,19) |
| Isomeric SMILES | C1C2C1C(N(C2)C(=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)O |
| PubChem CID | 3452382 |
| Molecular Weight | 300.14 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Sugar acids and derivatives - Sugar amino acids and derivatives |
| Direct Parent | Bicyclic amino acids and derivatives |
| Alternative Parents | N-benzoylpiperidines N-acyl-alpha amino acids 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Piperidinecarboxylic acids Benzamides Pyrrolidine carboxylic acids N-acylpyrrolidines Benzoyl derivatives Dichlorobenzenes Aryl chlorides Vinylogous halides Tertiary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Bicyclic amino acid - N-benzoylpiperidine - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - N-acyl-piperidine - Benzamide - Piperidinecarboxylic acid - Benzoic acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - 1,3-dichlorobenzene - Benzoyl - N-acylpyrrolidine - Chlorobenzene - Halobenzene - Piperidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as bicyclic amino acids and derivatives. These are sugar amino acids in which the amino acid is attached to or partly borne within a bicyclic ring system. |
| External Descriptors | Not available |
| Molecular Weight | 300.130 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 299.012 Da |
| Monoisotopic Mass | 299.012 Da |
| Topological Polar Surface Area | 57.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 417.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![3-(2,4-Dichlorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid - ≥90% CAS No(1009716-18-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/9/D981722.jpg)