| CAS Number | 1695060-77-5 |
| Catalog Number | AG01EHA8(AGN-PC-3H45FE) |
| Chemical Name | 2-Fluoro-4-(trifluoromethyl)phenoxyacetic acid |
| IUPAC Name | 2-[2-fluoro-4-(trifluoromethyl)phenoxy]acetic acid |
| InChI | InChI=1S/C9H6F4O3/c10-6-3-5(9(11,12)13)1-2-7(6)16-4-8(14)15/h1-3H,4H2,(H,14,15) |
| InChI Key | KWZPEVZDANFDHZ-UHFFFAOYSA-N |
| MDL Number | MFCD31726493 |
| Molecular Formula | C9H6F4O3 |
| Molecular Weight | 238.1358 |
| SMILES | OC(COC1=C(F)C=C(C(F)(F)F)C=C1)=O |
| Synonyms | 2-FLuoro-4-(trifluoromethyl)phenoxyacetic acid,
1695060-77-5,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.138g/mol |
| Monoisotopic Mass | 238.025g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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