| CAS Number | 1603111-54-1 |
| Catalog Number | AG019EO3 |
| Chemical Name | 3-[4-(trifluoromethyl)pyridin-3-yl]propanoic acid |
| IUPAC Name | 3-[4-(trifluoromethyl)pyridin-3-yl]propanoic acid |
| InChI | InChI=1S/C9H8F3NO2/c10-9(11,12)7-3-4-13-5-6(7)1-2-8(14)15/h3-5H,1-2H2,(H,14,15) |
| InChI Key | LKVDCFMYNUOEDD-UHFFFAOYSA-N |
| MDL Number | MFCD31555241 |
| Molecular Formula | C9H8F3NO2 |
| Molecular Weight | 219.1605 |
| SMILES | OC(CCC1=C(C(F)(F)F)C=CN=C1)=O |
| Synonyms | 3-(4-(TRIFLUOROMETHYL)PYRIDIN-3-YL)PROPANOIC ACID,
1603111-54-1,
CS-0037219,
3-(4-(TRIFLUOROMETHYL)PYRIDIN-3-YL)PROPANOIC ACID(WX613501),
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.163g/mol |
| Monoisotopic Mass | 219.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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