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· · COA & SDS available for every product · Same-day shipping on in-stock items 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)benzamide , CAS No.391209-55-5 🧪
Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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.
Product Properties Names and Identifiers Canonical Smiles OCCONC(=O)C1=C(NC2=CC=C(I)C=C2F)C(F)=C(F)C=C1 IUPAC Name 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide InChIKey GQAZGSHVSAGDOJ-UHFFFAOYSA-N INCHI 1S/C15H12F3IN2O3/c16-10-3-2-9(15(23)21-24-6-5-22)14(13(10)18)20-12-4-1-8(19)7-11(12)17/h1-4,7,20,22H,5-6H2,(H,21,23) Isomeric SMILES C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOCCO PubChem CID 9803891 Molecular Weight 452.17
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.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Aminobenzoic acids and derivatives Alternative Parents 3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Iodobenzenes Fluorobenzenes Aryl fluorides Aryl iodides Vinylogous amides Amino acids and derivatives Secondary amines Hydrocarbon derivatives Organic oxides Organofluorides Organoiodides Organopnictogen compounds Primary alcohols Molecular Framework Aromatic homomonocyclic compounds Substituents Aminobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Iodobenzene - Aryl fluoride - Aryl halide - Aryl iodide - Vinylogous amide - Amino acid or derivatives - Secondary amine - Carboxylic acid derivative - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organofluoride - Organic oxygen compound - Organoiodide - Amine - Alcohol - Organic nitrogen compound - Primary alcohol - Organonitrogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as aminobenzoic acids and derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety. 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 452.170 g/mol XLogP3 3.600 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 6 Exact Mass 451.984 Da Monoisotopic Mass 451.984 Da Topological Polar Surface Area 70.600 Ų Heavy Atom Count 24 Formal Charge 0 Complexity 421.000 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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