≥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)I)NC2=C(C=CC(=C2F)F)C(=O)O |
|---|---|
| IUPAC Name | 3,4-difluoro-2-(4-iodo-2-methylanilino)benzoic acid |
| InChIKey | XRNCNLRJMNWXRG-UHFFFAOYSA-N |
| INCHI | 1S/C14H10F2INO2/c1-7-6-8(17)2-5-11(7)18-13-9(14(19)20)3-4-10(15)12(13)16/h2-6,18H,1H3,(H,19,20) |
| Molecular Weight | 389.14 |
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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Aminobenzoic acids and derivatives |
| Direct Parent | Aminobenzoic acids |
| Alternative Parents | 3-halobenzoic acids 4-halobenzoic acids Halobenzoic acids Benzoic acids Aminotoluenes Aniline and substituted anilines Benzoyl derivatives Fluorobenzenes Iodobenzenes Aryl fluorides Aryl iodides Vinylogous amides Amino acids Carboxylic acids Secondary amines Monocarboxylic acids and derivatives Organic oxides Organofluorides Organoiodides Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzoic acid - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - 4-halobenzoic acid - Benzoic acid - Benzoyl - Aminotoluene - Aniline or substituted anilines - Iodobenzene - Halobenzene - Fluorobenzene - Toluene - Aryl fluoride - Aryl halide - Aryl iodide - Vinylogous amide - Amino acid or derivatives - Amino acid - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organoiodide - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety. |
| External Descriptors | Not available |
| Molecular Weight | 389.140 g/mol |
|---|---|
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 388.972 Da |
| Monoisotopic Mass | 388.972 Da |
| Topological Polar Surface Area | 49.300 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 358.000 |
| 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 |
