≥97% 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 | COC(=O)C1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC=C2F)F)F |
|---|---|
| IUPAC Name | methyl 3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate |
| InChIKey | COSCWKICERLCEK-UHFFFAOYSA-N |
| INCHI | 1S/C14H10F3NO4S/c1-22-14(19)8-4-2-7-11(12(8)17)18-23(20,21)13-9(15)5-3-6-10(13)16/h2-7,18H,1H3 |
| Isomeric SMILES | COC(=O)C1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC=C2F)F)F |
| Alternate CAS | 1195768-19-4 |
| Molecular Weight | 345.29 |
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 | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | 2-halobenzoic acids and derivatives Sulfanilides Benzenesulfonamides Benzenesulfonyl compounds Benzoyl derivatives Fluorobenzenes Organosulfonamides Aryl fluorides Vinylogous halides Aminosulfonyl compounds Methyl esters Organofluorides Organonitrogen compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Sulfanilide - Benzenesulfonyl group - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Organosulfonic acid amide - Vinylogous halide - Methyl ester - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2427308 | Certificate of Analysis | Dec 07, 2024 | M734280 |
| L2427309 | Certificate of Analysis | Dec 07, 2024 | M734280 |
| L2427311 | Certificate of Analysis | Dec 07, 2024 | M734280 |
| L2427319 | Certificate of Analysis | Dec 07, 2024 | M734280 |
| L2427320 | Certificate of Analysis | Dec 07, 2024 | M734280 |
| L2427333 | Certificate of Analysis | Dec 07, 2024 | M734280 |
| L2431112 | Certificate of Analysis | Dec 07, 2024 | M734280 |
| L2431113 | Certificate of Analysis | Dec 07, 2024 | M734280 |
| L2431114 | Certificate of Analysis | Dec 07, 2024 | M734280 |
| L2431115 | Certificate of Analysis | Dec 07, 2024 | M734280 |
| Molecular Weight | 345.300 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 345.028 Da |
| Monoisotopic Mass | 345.028 Da |
| Topological Polar Surface Area | 80.900 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 515.000 |
| 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 |
