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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Fluoro-5-((8-methoxy-4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid - ≥97% , CAS No.1174044-71-3
Synonyms
2-Fluoro-5-[(8-methoxy-4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoic acid | SCHEMBL86937 | 2-fluoro-5-[(8-methoxy-4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid | AS-79091 | P19230 | SY322011 | SB13421 | MFCD17676149 | 2-Fluoro-5-((8-methoxy-4-oxo-3,4-dih
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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
2-Fluoro-5-[(8-methoxy-4-oxo-3, 4-dihydrophthalazin-1-yl)methyl]benzoic acid | SCHEMBL86937 | 2-fluoro-5-[(8-methoxy-4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid | AS-79091 | P19230 | SY322011 | SB13421 | MFCD17676149 | 2-Fluoro-5-((8-methoxy-4-oxo-3, 4-dih
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles COC1=CC=CC2=C1C(=NNC2=O)CC3=CC(=C(C=C3)F)C(=O)O IUPAC Name 2-fluoro-5-[(8-methoxy-4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid InChIKey UBFACEFMPYXIGD-UHFFFAOYSA-N INCHI 1S/C17H13FN2O4/c1-24-14-4-2-3-10-15(14)13(19-20-16(10)21)8-9-5-6-12(18)11(7-9)17(22)23/h2-7H,8H2,1H3,(H,20,21)(H,22,23) Isomeric SMILES COC1=CC=CC2=C1C(=NNC2=O)CC3=CC(=C(C=C3)F)C(=O)O Alternate CAS 1174044-71-3 PubChem CID 57791817 Molecular Weight 328.29
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 Diazanaphthalenes Subclass Benzodiazines Intermediate Tree Nodes Phthalazines Direct Parent Phthalazinones Alternative Parents 2-halobenzoic acids Halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Anisoles Benzoyl derivatives Pyridazinones Alkyl aryl ethers Fluorobenzenes Aryl fluorides Vinylogous halides Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Phthalazinone - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoic acid or derivatives - Anisole - 1-carboxy-2-haloaromatic compound - Phenol ether - Benzoyl - Pyridazinone - Alkyl aryl ether - Halobenzene - Fluorobenzene - Benzenoid - Aryl halide - Aryl fluoride - Pyridazine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous halide - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organohalogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine bearing a ketone group. 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 328.290 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 328.086 Da Monoisotopic Mass 328.086 Da Topological Polar Surface Area 88.000 Ų Heavy Atom Count 24 Formal Charge 0 Complexity 539.000 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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