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· · COA & SDS available for every product · Same-day shipping on in-stock items AN0128 - Moligand™ , CAS No.872044-70-7
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
CRM-0005 | GTPL10983 | MS-26785 | 2-PYRIDINECARBOXYLIC ACID, 3-HYDROXY-, ANHYDRIDE WITH B,B-BIS(3-CHLORO-4-METHYLPHENYL)BORINIC ACID | ONT-0001 | SCHEMBL442638 | 8RT8P7QL3A | 2-(((BIS(3-CHLORO-4-METHYLPHENYL)BORYL)OXY)CARBONYL)PYRIDIN-3-OL | bis(3-chloro-
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Why this grade Moligand™ Moligand™ 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.
Specifications Synonyms
CRM-0005 | GTPL10983 | MS-26785 | 2-PYRIDINECARBOXYLIC ACID, 3-HYDROXY-, ANHYDRIDE WITH B, B-BIS(3-CHLORO-4-METHYLPHENYL)BORINIC ACID | ONT-0001 | SCHEMBL442638 | 8RT8P7QL3A | 2-(((BIS(3-CHLORO-4-METHYLPHENYL)BORYL)OXY)CARBONYL)PYRIDIN-3-OL | bis(3-chloro-
Specifications & Purity
Moligand™
Names and Identifiers Canonical Smiles O=C(c1ncccc1O)OB(c1ccc(c(c1)Cl)C)c1ccc(c(c1)Cl)C IUPAC Name bis(3-chloro-4-methylphenyl)boranyl 3-hydroxypyridine-2-carboxylate InChIKey ZTLSOLUCMQEGEA-UHFFFAOYSA-N INCHI 1S/C20H16BCl2NO3/c1-12-5-7-14(10-16(12)22)21(15-8-6-13(2)17(23)11-15)27-20(26)19-18(25)4-3-9-24-19/h3-11,25H,1-2H3 Isomeric SMILES B(C1=CC(=C(C=C1)C)Cl)(C2=CC(=C(C=C2)C)Cl)OC(=O)C3=C(C=CC=N3)O PubChem CID 11704019
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 Pyridines and derivatives Subclass Pyridinecarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Pyridinecarboxylic acids Alternative Parents Toluenes Chlorobenzenes Hydroxypyridines Aryl chlorides Vinylogous acids Heteroaromatic compounds Borinic acid derivatives Azacyclic compounds Carboxylic acids and derivatives Organic metalloid salts Organochlorides Organometalloid compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Pyridine carboxylic acid - Chlorobenzene - Halobenzene - Toluene - Hydroxypyridine - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Vinylogous acid - Borinic acid derivative - Azacycle - Organic metalloid salt - Carboxylic acid derivative - Organic oxygen compound - Organochloride - Organic metalloid moeity - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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 Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 400.100 g/mol XLogP3 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 5 Exact Mass 399.06 Da Monoisotopic Mass 399.06 Da Topological Polar Surface Area 59.400 Ų Heavy Atom Count 27 Formal Charge 0 Complexity 486.000 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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Reconstitution Calculator Reviews Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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