≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,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 | CCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F |
|---|---|
| IUPAC Name | (4-cyano-3-fluorophenyl) 4-(4-ethylcyclohexyl)benzoate |
| InChIKey | FXUZUGKUGSWLJI-UHFFFAOYSA-N |
| INCHI | 1S/C22H22FNO2/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)22(25)26-20-12-11-19(14-24)21(23)13-20/h7-13,15-16H,2-6H2,1H3 |
| Isómeros SMILES | CCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F |
| CAS alternativo | 92118-81-5 |
| Peso molecular | 351.42 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Clase | Depsides and depsidones |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Depsides and depsidones |
| Alternative Parents | Phenol esters Benzoic acid esters Phenoxy compounds Benzoyl derivatives Benzonitriles Fluorobenzenes Aryl fluorides Carboxylic acid esters Nitriles Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Depside backbone - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Phenoxy compound - Benzonitrile - Benzoyl - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl fluoride - Aryl halide - Carboxylic acid ester - Carboxylic acid derivative - Nitrile - Carbonitrile - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Cyanide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). |
| External Descriptors | Not available |
| Peso molecular | 351.400 g/mol |
|---|---|
| XLogP3 | 6.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 351.163 Da |
| Monoisotopic Mass | 351.163 Da |
| Topological Polar Surface Area | 50.100 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 511.000 |
| 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 |
