| CAS Number | 915030-12-5 |
| Catalog Number | AG019EOW(AGN-PC-0WQVL4) |
| Chemical Name | 3-[5-(Trifluoromethyl)pyridin-3-yl]propanoic acid |
| IUPAC Name | 3-[5-(trifluoromethyl)pyridin-3-yl]propanoic acid |
| InChI | InChI=1S/C9H8F3NO2/c10-9(11,12)7-3-6(4-13-5-7)1-2-8(14)15/h3-5H,1-2H2,(H,14,15) |
| InChI Key | WXGWFHHBRZKFEI-UHFFFAOYSA-N |
| MDL Number | MFCD18259979 |
| Molecular Formula | C9H8F3NO2 |
| Molecular Weight | 219.1605 |
| SMILES | OC(=O)CCc1cncc(c1)C(F)(F)F |
| Synonyms | 915030-12-5,
3-[5-(trifluoromethyl)pyridin-3-yl]propanoic acid,
3-(5-(Trifluoromethyl)pyridin-3-yl)propanoic acid,
5-(trifluoromethyl)-3-Pyridinepropanoic acid,
SCHEMBL4522108,
MFCD18259979,
ZINC165481270,
DA-01258,
CS-0037255,
3-[5-(TRIFLUOROMETHYL)PYRIDIN-3-YL]PROPANOIC ACID(WX613499),
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number