| CAS Number | 1363210-38-1 |
| Catalog Number | AG00HUIF(AGN-PC-0WG3VD) |
| Chemical Name | Methyl 2-(6-(trifluoromethyl)pyridin-3-yl)acetate |
| IUPAC Name | methyl 2-[6-(trifluoromethyl)pyridin-3-yl]acetate |
| InChI | InChI=1S/C9H8F3NO2/c1-15-8(14)4-6-2-3-7(13-5-6)9(10,11)12/h2-3,5H,4H2,1H3 |
| InChI Key | HMZVFXFYWDERMR-UHFFFAOYSA-N |
| MDL Number | MFCD23378473 |
| Molecular Formula | C9H8F3NO2 |
| Molecular Weight | 219.1605 |
| SMILES | COC(=O)Cc1ccc(nc1)C(F)(F)F |
| Synonyms | METHYL 2-(6-(TRIFLUOROMETHYL)PYRIDIN-3-YL)ACETATE,
1363210-38-1,
MFCD23378473,
ZINC91304976,
AM805855,
CS-0035818,
methyl 2-[6-(trifluoromethyl)pyridin-3-yl]acetate,
|
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.163g/mol |
| Monoisotopic Mass | 219.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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