≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C |
|---|---|
| IUPAC Name | 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[3-(trifluoromethyl)phenyl]benzamide |
| InChIKey | JLJGGQXKHGIAMW-UHFFFAOYSA-N |
| INCHI | 1S/C21H23BF3NO3/c1-13-9-10-14(11-17(13)22-28-19(2,3)20(4,5)29-22)18(27)26-16-8-6-7-15(12-16)21(23,24)25/h6-12H,1-5H3,(H,26,27) |
| Molecular Weight | 405.200 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Trifluoromethylbenzenes p-Toluamides Benzamides Benzoyl derivatives Boronic acid esters Dioxaborolanes Secondary carboxylic acid amides Oxacyclic compounds Organic metalloid salts Alkyl fluorides Hydrocarbon derivatives Organometalloid compounds Organonitrogen compounds Organooxygen compounds Organic oxides Organofluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzanilide - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - P-toluamide - Toluamide - Benzoyl - Toluene - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Organic metalloid salt - Carboxylic acid derivative - Organoheterocyclic compound - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic metalloid moeity - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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 | 405.200 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 405.172 Da |
| Monoisotopic Mass | 405.172 Da |
| Topological Polar Surface Area | 47.600 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 594.000 |
| 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 |
