≥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=CC(=C1)C(=O)NC2=C(C=C(C=C2)I)C(=O)O)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 5-iodo-2-[(3-methyl-4-nitrobenzoyl)amino]benzoic acid |
| InChIKey | YUOTWEHZWGUTCC-UHFFFAOYSA-N |
| INCHI | 1S/C15H11IN2O5/c1-8-6-9(2-5-13(8)18(22)23)14(19)17-12-4-3-10(16)7-11(12)15(20)21/h2-7H,1H3,(H,17,19)(H,20,21) |
| Isomeric SMILES | CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)I)C(=O)O)[N+](=O)[O-] |
| PubChem CID | 1369722 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 | 3-halobenzoic acids Halobenzoic acids m-Toluamides Benzamides Benzoic acids Nitrotoluenes Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Iodobenzenes Aryl iodides Vinylogous amides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organoiodides Organooxygen compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzanilide - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzamide - Benzoic acid or derivatives - Benzoic acid - M-toluamide - Toluamide - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - Halobenzene - Iodobenzene - Toluene - Aryl iodide - Aryl halide - Vinylogous amide - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organoiodide - 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 | 426.160 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 425.971 Da |
| Monoisotopic Mass | 425.971 Da |
| Topological Polar Surface Area | 112.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 481.000 |
| 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 |
![5-Iodo-2-[(3-methyl-4-nitrobenzoyl)amino]benzoic acid - ≥95% , CAS No.294892-53-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)