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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 | CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)OCCOC)Cl |
|---|---|
| IUPAC Name | 2-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide |
| InChIKey | XDBJUXZFTMVWEX-UHFFFAOYSA-N |
| INCHI | 1S/C13H15ClF3NO3/c1-8(14)12(19)18-10-7-9(13(15,16)17)3-4-11(10)21-6-5-20-2/h3-4,7-8H,5-6H2,1-2H3,(H,18,19) |
| Molecular Weight | 325.71 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Anilides Phenoxy compounds Phenol ethers N-arylamides Alkyl aryl ethers Secondary carboxylic acid amides Dialkyl ethers Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Alkyl chlorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Anilide - Phenoxy compound - Phenol ether - N-arylamide - Alkyl aryl ether - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organooxygen compound - Organic oxygen compound - Alkyl chloride - Organic nitrogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 325.710 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 325.069 Da |
| Monoisotopic Mass | 325.069 Da |
| Topological Polar Surface Area | 47.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 341.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |