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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.
| Sonrisas canónicas | C1=CC(=C(C=C1CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)Cl)Cl |
|---|---|
| IUPAC Name | 2-amino-N-[(3,4-dichlorophenyl)methyl]-5-nitrobenzamide |
| InChIKey | CAQJCULNKULRGE-UHFFFAOYSA-N |
| INCHI | 1S/C14H11Cl2N3O3/c15-11-3-1-8(5-12(11)16)7-18-14(20)10-6-9(19(21)22)2-4-13(10)17/h1-6H,7,17H2,(H,18,20) |
| Peso molecular | 340.2 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Benzamides |
| Direct Parent | N-benzylbenzamides |
| Alternative Parents | 2-aminobenzamides Anthranilamides Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Dichlorobenzenes Aryl chlorides Vinylogous amides Secondary carboxylic acid amides Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organooxygen compounds Primary amines |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | N-benzylbenzamide - Anthranilamide - Aminobenzamide - Aminobenzoic acid or derivatives - 2-aminobenzamide - Nitrobenzene - Nitroaromatic compound - 1,2-dichlorobenzene - Benzoyl - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Vinylogous amide - Carboxamide group - C-nitro compound - Amino acid or derivatives - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Primary amine - Organic zwitterion - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-benzylbenzamides. These are compounds containing a benzamide moiety that is N-linked to a benzyl group. |
| External Descriptors | Not available |
| Peso molecular | 340.200 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 339.018 Da |
| Monoisotopic Mass | 339.018 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 419.000 |
| 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 |