≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | B(C1=CC(=C(C=C1)F)C(=O)NC2=CC(=C(C=C2)F)Cl)(O)O |
|---|---|
| IUPAC Name | [3-[(3-chloro-4-fluorophenyl)carbamoyl]-4-fluorophenyl]boronic acid |
| InChIKey | SUZZUSICZSSECK-UHFFFAOYSA-N |
| INCHI | 1S/C13H9BClF2NO3/c15-10-6-8(2-4-12(10)17)18-13(19)9-5-7(14(20)21)1-3-11(9)16/h1-6,20-21H,(H,18,19) |
| Isomeric SMILES | B(C1=CC(=C(C=C1)F)C(=O)NC2=CC(=C(C=C2)F)Cl)(O)O |
| PubChem CID | 57497235 |
| Molecular Weight | 311.47 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Aromatic anilides |
| Direct Parent | Benzanilides |
| Alternative Parents | 2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Vinylogous halides Secondary carboxylic acid amides Boronic acids Organic metalloid salts Organooxygen compounds Organic oxides Organochlorides Organofluorides Organometalloid compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzanilide - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Vinylogous halide - Secondary carboxylic acid amide - Boronic acid derivative - Boronic acid - Carboxamide group - Carboxylic acid derivative - Organic metalloid salt - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organic metalloid moeity - Organochloride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. |
| External Descriptors | Not available |
| Molecular Weight | 311.480 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 311.033 Da |
| Monoisotopic Mass | 311.033 Da |
| Topological Polar Surface Area | 69.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 377.000 |
| 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 |
