≥95% 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 | CC1=C(C=C(C=C1)Br)NC(=O)C2=CC=CC(=C2)C#N |
|---|---|
| IUPAC Name | N-(5-bromo-2-methylphenyl)-3-cyanobenzamide |
| InChIKey | VPXLEUZUEFZJTF-UHFFFAOYSA-N |
| INCHI | 1S/C15H11BrN2O/c1-10-5-6-13(16)8-14(10)18-15(19)12-4-2-3-11(7-12)9-17/h2-8H,1H3,(H,18,19) |
| Isomeric SMILES | CC1=C(C=C(C=C1)Br)NC(=O)C2=CC=CC(=C2)C#N |
| PubChem CID | 43805966 |
| Molecular Weight | 315.2 |
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 | Benzamides Benzoyl derivatives Benzonitriles Toluenes Bromobenzenes Aryl bromides Secondary carboxylic acid amides Nitriles Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzanilide - Benzamide - Benzoic acid or derivatives - Benzonitrile - Benzoyl - Bromobenzene - Halobenzene - Toluene - Aryl halide - Aryl bromide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carbonitrile - Nitrile - Hydrocarbon derivative - Organobromide - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organooxygen compound - Organonitrogen compound - 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 | 315.160 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 314.005 Da |
| Monoisotopic Mass | 314.005 Da |
| Topological Polar Surface Area | 52.900 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 376.000 |
| 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 |
