for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
Meclofenamic Acid-d4 is an anti-inflammatory and antipyretic.
| Canonical Smiles | CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)O)Cl |
|---|---|
| IUPAC Name | 2,3,4,5-tetradeuterio-6-(2,6-dichloro-3-methylanilino)benzoic acid |
| InChIKey | SBDNJUWAMKYJOX-QFFDRWTDSA-N |
| INCHI | 1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)/i2D,3D,4D,5D |
| Isomeric SMILES | [2H]C1=C(C(=C(C(=C1[2H])C(=O)O)NC2=C(C=CC(=C2Cl)C)Cl)[2H])[2H] |
| Molecular Weight | 300.17 |
| Reaxy-Rn | 2221428 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2221428&ln= |
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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Aminobenzoic acids and derivatives |
| Direct Parent | Aminobenzoic acids |
| Alternative Parents | Benzoic acids Dichlorobenzenes Benzoyl derivatives Aniline and substituted anilines Aminotoluenes Primary aromatic amines Aryl chlorides Vinylogous amides Amino acids Secondary amines Carboxylic acids Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzoic acid - Benzoic acid - Benzoyl - 1,3-dichlorobenzene - Aniline or substituted anilines - Aminotoluene - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Primary aromatic amine - Vinylogous amide - Amino acid - Amino acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Organonitrogen compound - Organic oxide - Organooxygen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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 |
| Solubility | Soluble in Water |
|---|---|
| Melt Point(°C) | 246-249°C (lit.) |
| Molecular Weight | 300.200 g/mol |
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 299.042 Da |
| Monoisotopic Mass | 299.042 Da |
| Topological Polar Surface Area | 49.300 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 327.000 |
| Isotope Atom Count | 4 |
| 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 |
