≥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.
| Sonrisas canónicas | CC(C)(C)OC(=O)NC1=C(C=CC=C1OC(F)(F)F)C(=O)O |
|---|---|
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethoxy)benzoic acid |
| InChIKey | DYINHAOLKZFJQC-UHFFFAOYSA-N |
| INCHI | 1S/C13H14F3NO5/c1-12(2,3)22-11(20)17-9-7(10(18)19)5-4-6-8(9)21-13(14,15)16/h4-6H,1-3H3,(H,17,20)(H,18,19) |
| Isómeros SMILES | CC(C)(C)OC(=O)NC1=C(C=CC=C1OC(F)(F)F)C(=O)O |
| PubChem CID | 10903323 |
| Peso molecular | 321.26 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Phenylcarbamic acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylcarbamic acid esters |
| Alternative Parents | Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives Vinylogous amides Carbamate esters Trihalomethanes Carboxylic acids Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylcarbamic acid ester - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Vinylogous amide - Carbamic acid ester - Trihalomethane - Carboxylic acid derivative - Carboxylic acid - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Halomethane - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids. |
| External Descriptors | Not available |
| Peso molecular | 321.250 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 321.082 Da |
| Monoisotopic Mass | 321.082 Da |
| Topological Polar Surface Area | 84.900 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 419.000 |
| 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 |
![2-{[(Tert-butoxy)carbonyl]amino}-3-(trifluoromethoxy)benzoic acid - ≥95% , CAS No.561304-40-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)