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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-(4-Fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid - ≥97% , CAS No.56617-43-7
Synonyms
56617-43-7|1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid|1-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid|1-(4-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid|MFCD01569311|MLS000062743|3-Pyrrolidinecarboxylic acid, 1-(4-fluorophenyl)-5-oxo
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
56617-43-7 | 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid | 1-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid | 1-(4-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid | MFCD01569311 | MLS000062743 | 3-Pyrrolidinecarboxylic acid, 1-(4-fluorophenyl)-5-oxo
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles C1C(CN(C1=O)C2=CC=C(C=C2)F)C(=O)O IUPAC Name 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid InChIKey JYYMPQMWOVXMDK-UHFFFAOYSA-N INCHI 1S/C11H10FNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16) Isomeric SMILES C1C(CN(C1=O)C2=CC=C(C=C2)F)C(=O)O Molecular Weight 223.2 Reaxy-Rn 7133849 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7133849&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Pyrrolidines Subclass Phenylpyrrolidines Intermediate Tree Nodes Not available Direct Parent Phenylpyrrolidines Alternative Parents Oxoprolines Pyrrolidine carboxylic acids Fluorobenzenes Aryl fluorides Pyrrolidine-2-ones Pyrroles Tertiary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents 1-phenylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Oxoproline - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Lactam - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 223.200 g/mol XLogP3 0.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 223.064 Da Monoisotopic Mass 223.064 Da Topological Polar Surface Area 57.600 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 300.000 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
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