for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CCOC(=O)C1=C(NC(=C1C=NC2=CC=C(C=C2)C(F)(F)F)O)C |
|---|---|
| IUPAC Name | ethyl 5-hydroxy-2-methyl-4-[[4-(trifluoromethyl)phenyl]iminomethyl]-1H-pyrrole-3-carboxylate |
| InChIKey | YCUSLFXXZPXDDK-UHFFFAOYSA-N |
| INCHI | 1S/C16H15F3N2O3/c1-3-24-15(23)13-9(2)21-14(22)12(13)8-20-11-6-4-10(5-7-11)16(17,18)19/h4-8,21-22H,3H2,1-2H3 |
| Isómeros SMILES | CCOC(=O)C1=C(NC(=C1C=NC2=CC=C(C=C2)C(F)(F)F)O)C |
| PubChem CID | 1480372 |
| Peso molecular | 340.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Pyrrole carboxylic acids and derivatives Fatty acid esters Substituted pyrroles Vinylogous amides Heteroaromatic compounds Enoate esters Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Aldimines Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Pyrrole-3-carboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Pyrrole - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid derivative - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Imine - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
| Peso molecular | 340.300 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 340.103 Da |
| Monoisotopic Mass | 340.103 Da |
| Topological Polar Surface Area | 74.700 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 462.000 |
| 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 |
![ethyl 2-methyl-5-oxo-4-{[4-(trifluoromethyl)anilino]methylene}-4,5-dihydro-1H-pyrrole-3-carboxylate , CAS No.251307-05-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)