≥95% 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 | C1CN(CCC1OC2=CC=CC=C2Cl)C(=O)NC3=CC=CC(=C3)C(=O)O |
|---|---|
| IUPAC Name | 3-[[4-(2-chlorophenoxy)piperidine-1-carbonyl]amino]benzoic acid |
| InChIKey | KTLSGYCNUNMYAW-UHFFFAOYSA-N |
| INCHI | 1S/C19H19ClN2O4/c20-16-6-1-2-7-17(16)26-15-8-10-22(11-9-15)19(25)21-14-5-3-4-13(12-14)18(23)24/h1-7,12,15H,8-11H2,(H,21,25)(H,23,24) |
| Isomeric SMILES | C1CN(CCC1OC2=CC=CC=C2Cl)C(=O)NC3=CC=CC(=C3)C(=O)O |
| Alternate CAS | 1058702-87-6 |
| PubChem CID | 57346497 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | N-phenylureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-phenylureas |
| Alternative Parents | Benzoic acids Piperidinecarboxamides Benzoyl derivatives Phenol ethers Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Ureas Amino acids Tertiary amines Carboxylic acids Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-phenylurea - Benzoic acid or derivatives - Benzoic acid - Piperidinecarboxamide - 1-piperidinecarboxamide - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Piperidine - Amino acid or derivatives - Amino acid - Urea - Tertiary amine - Ether - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group. |
| External Descriptors | Not available |
| Molecular Weight | 374.800 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 374.103 Da |
| Monoisotopic Mass | 374.103 Da |
| Topological Polar Surface Area | 78.900 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 496.000 |
| 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 |
