| CAS Number | 26002-48-2 |
| Catalog Number | AG002RDB(AGN-PC-00KCP5) |
| Chemical Name | 2-Methyl-2-[4-(trifluoromethyl)phenoxy]propanoic acid |
| IUPAC Name | 2-methyl-2-[4-(trifluoromethyl)phenoxy]propanoic acid |
| InChI | InChI=1S/C11H11F3O3/c1-10(2,9(15)16)17-8-5-3-7(4-6-8)11(12,13)14/h3-6H,1-2H3,(H,15,16) |
| InChI Key | PYSRGMCGNCBXSF-UHFFFAOYSA-N |
| MDL Number | MFCD13447999 |
| Molecular Formula | C11H11F3O3 |
| Molecular Weight | 248.1984 |
| SMILES | CC(C(O)=O)(OC1=CC=C(C(F)(F)F)C=C1)C |
| Synonyms | 26002-48-2,
2-Methyl-2-[4-(trifluoromethyl)phenoxy]propanoic acid,
Propanoic acid, 2-methyl-2-[4-(trifluoromethyl)phenoxy]-,
2-methyl-2-(4-(trifluoromethyl)phenoxy)propanoic acid,
SCHEMBL3371243,
CTK0J3632,
DTXSID80514473,
ZINC39365921,
AKOS033947772,
AS-37309,
Z2582143605,
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| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.201g/mol |
| Monoisotopic Mass | 248.066g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number