≥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 | CCOC(=O)C(OC1=CC=CC(=C1)[N+](=O)[O-])(F)F |
|---|---|
| IUPAC Name | ethyl 2,2-difluoro-2-(3-nitrophenoxy)acetate |
| InChIKey | JRIGUJXGRHFDTK-UHFFFAOYSA-N |
| INCHI | 1S/C10H9F2NO5/c1-2-17-9(14)10(11,12)18-8-5-3-4-7(6-8)13(15)16/h3-6H,2H2,1H3 |
| Molecular Weight | 261.18 |
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 | Phenoxyacetic acid derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenoxyacetic acid derivatives |
| Alternative Parents | Nitrophenyl ethers Phenoxy compounds Phenol ethers Nitroaromatic compounds Alpha-halocarboxylic acid derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Alkyl fluorides Organic oxides Organic salts Organofluorides Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrophenyl ether - Phenoxyacetate - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organofluoride - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organopnictogen compound - Alkyl fluoride - Organooxygen compound - Organic salt - Organic oxygen compound - Carbonyl group - Organic cation - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative. |
| External Descriptors | Not available |
| Molecular Weight | 261.180 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 261.045 Da |
| Monoisotopic Mass | 261.045 Da |
| Topological Polar Surface Area | 81.400 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 318.000 |
| 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 |
