≥95% 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 | COC1=CC=C(C=C1)C(CC2=CC=C(C=C2)C3=NOC(=C3)C(=O)O)C4=NC(=NO4)C5=CC=C(C=C5)Cl |
|---|---|
| IUPAC Name | 3-[4-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methoxyphenyl)ethyl]phenyl]-1,2-oxazole-5-carboxylic acid |
| InChIKey | MZRTXTPBAYMJCA-UHFFFAOYSA-N |
| INCHI | 1S/C27H20ClN3O5/c1-34-21-12-8-17(9-13-21)22(26-29-25(31-36-26)19-6-10-20(28)11-7-19)14-16-2-4-18(5-3-16)23-15-24(27(32)33)35-30-23/h2-13,15,22H,14H2,1H3,(H,32,33) |
| Isomeric SMILES | COC1=CC=C(C=C1)C(CC2=CC=C(C=C2)C3=NOC(=C3)C(=O)O)C4=NC(=NO4)C5=CC=C(C=C5)Cl |
| PubChem CID | 57404472 |
| Molecular Weight | 501.9 |
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 | Phenylpropanoids and polyketides |
| Class | Stilbenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Stilbenes |
| Alternative Parents | Phenyloxadiazoles Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Stilbene - Phenyl-1,2,4-oxadiazole - Phenol ether - Methoxybenzene - Anisole - Phenoxy compound - Halobenzene - Chlorobenzene - Alkyl aryl ether - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Heteroaromatic compound - Azole - 1,2,4-oxadiazole - Isoxazole - Oxadiazole - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. |
| External Descriptors | Not available |
| Molecular Weight | 501.900 g/mol |
|---|---|
| XLogP3 | 6.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 501.109 Da |
| Monoisotopic Mass | 501.109 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 708.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
