| CAS Number | 142044-52-8 |
| Catalog Number | AG01B849(AGN-PC-0PRRQX) |
| Chemical Name | 2-Fluoro-2-[4-(trifluoromethyl)phenyl]acetic acid |
| IUPAC Name | 2-fluoro-2-[4-(trifluoromethyl)phenyl]acetic acid |
| InChI | InChI=1S/C9H6F4O2/c10-7(8(14)15)5-1-3-6(4-2-5)9(11,12)13/h1-4,7H,(H,14,15) |
| InChI Key | SNSVFEGAHSFELK-UHFFFAOYSA-N |
| MDL Number | MFCD19442090 |
| Molecular Formula | C9H6F4O2 |
| Molecular Weight | 222.1364 |
| SMILES | O=C(O)C(F)C1=CC=C(C(F)(F)F)C=C1 |
| Synonyms | 142044-52-8,
2-fluoro-2-[4-(trifluoromethyl)phenyl]acetic acid,
2-Fluoro-2-(4-(trifluoromethyl)phenyl)acetic acid,
SCHEMBL5860711,
AKOS017919540,
2-(4-(Trifluoromethyl)phenyl)-2-fluoroacetic acid,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.139g/mol |
| Monoisotopic Mass | 222.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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