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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 3-(5-(2-fluorophenyl)-1，2，4-oxadiazol-3-yl)benzoate - ≥97% , CAS No.775304-60-4
Synonyms
Benzoic acid | 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]- | Methyl ester
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice 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 Sinónimos
Benzoic acid | 3-[5-(2-fluorophenyl)-1, 2, 4-oxadiazol-3-yl]- | Methyl ester
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Sonrisas canónicas COC(=O)C1=CC=CC(=C1)C2=NOC(=N2)C3=CC=CC=C3F IUPAC Name methyl 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate InChIKey LFJJTHGQRVVGGN-UHFFFAOYSA-N INCHI 1S/C16H11FN2O3/c1-21-16(20)11-6-4-5-10(9-11)14-18-15(22-19-14)12-7-2-3-8-13(12)17/h2-9H,1H3 Isómeros SMILES COC(=O)C1=CC=CC(=C1)C2=NOC(=N2)C3=CC=CC=C3F PubChem CID 11208732 Peso molecular 298.27
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 Clase Azoles Subclass Oxadiazoles Intermediate Tree Nodes 1,2,4-oxadiazoles Direct Parent Phenyloxadiazoles Alternative Parents Benzoic acid esters Benzoyl derivatives Fluorobenzenes Aryl fluorides Methyl esters Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenyl-1,2,4-oxadiazole - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond. 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.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 298.270 g/mol XLogP3 3.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 298.075 Da Monoisotopic Mass 298.075 Da Topological Polar Surface Area 65.200 Ų Heavy Atom Count 22 Formal Charge 0 Complexity 396.000 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
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