≥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.
| Pubchem Sid | 488193850 |
|---|---|
| Canonical Smiles | COC(=O)C(CC1=CC=C(C=C1)F)C(=O)OC |
| IUPAC Name | dimethyl 2-[(4-fluorophenyl)methyl]propanedioate |
| InChIKey | WDFUURBBGZTSIA-UHFFFAOYSA-N |
| INCHI | 1S/C12H13FO4/c1-16-11(14)10(12(15)17-2)7-8-3-5-9(13)6-4-8/h3-6,10H,7H2,1-2H3 |
| Isomeric SMILES | COC(=O)C(CC1=CC=C(C=C1)F)C(=O)OC |
| Molecular Weight | 240.23 |
| Reaxy-Rn | 8410943 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8410943&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 | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorobenzenes |
| Alternative Parents | Fatty acid esters Dicarboxylic acids and derivatives Aryl fluorides 1,3-dicarbonyl compounds Methyl esters Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Fatty acid ester - Fluorobenzene - Aryl fluoride - Aryl halide - Fatty acyl - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring. |
| 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 |
|---|---|---|---|
 D2321821 | Certificate of Analysis | Feb 05, 2026 | D351548 |
| D2321839 | Certificate of Analysis | Feb 05, 2026 | D351548 |
| D2321840 | Certificate of Analysis | Feb 05, 2026 | D351548 |
| D2321852 | Certificate of Analysis | Feb 05, 2026 | D351548 |
| D2321854 | Certificate of Analysis | Feb 05, 2026 | D351548 |
| D2321858 | Certificate of Analysis | Feb 05, 2026 | D351548 |
| Molecular Weight | 240.230 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 240.08 Da |
| Monoisotopic Mass | 240.08 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 256.000 |
| 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 |
