for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | C1COCCN1CCCN2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)F |
|---|---|
| IUPAC Name | 2-(4-fluorophenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one |
| InChIKey | VGTRETWOTUERTB-UHFFFAOYSA-N |
| INCHI | 1S/C22H23FN2O4S/c23-16-6-4-15(5-7-16)19-18(20(26)17-3-1-14-30-17)21(27)22(28)25(19)9-2-8-24-10-12-29-13-11-24/h1,3-7,14,19,27H,2,8-13H2 |
| Peso molecular | 430.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyrrolines |
| Subclass | Phenylpyrrolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolines |
| Alternative Parents | Aryl ketones Pyrroline carboxylic acids and derivatives Fluorobenzenes Aryl fluorides Morpholines Vinylogous acids Thiophenes Heteroaromatic compounds Tertiary carboxylic acid amides Pyrroles Lactams Trialkylamines Amino acids and derivatives Azacyclic compounds Enols Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-phenylpyrroline - Pyrroline carboxylic acid or derivatives - Aryl ketone - Fluorobenzene - Halobenzene - Morpholine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Oxazinane - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous acid - Tertiary carboxylic acid amide - Thiophene - Lactam - Ketone - Tertiary amine - Carboxamide group - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid derivative - Dialkyl ether - Enol - Ether - Oxacycle - Azacycle - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond. |
| External Descriptors | Not available |
| Peso molecular | 430.500 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 430.136 Da |
| Monoisotopic Mass | 430.136 Da |
| Topological Polar Surface Area | 98.300 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 674.000 |
| 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 |
