| CAS Number | 1820673-40-2 |
| Catalog Number | AG00I0R4(AGN-PC-0WR47J) |
| Chemical Name | 5-(Trifluoromethyl)pyridin-3-ol hydrochloride |
| IUPAC Name | 5-(trifluoromethyl)pyridin-3-ol;hydrochloride |
| InChI | InChI=1S/C6H4F3NO.ClH/c7-6(8,9)4-1-5(11)3-10-2-4;/h1-3,11H;1H |
| InChI Key | SEUWQAPEUQVNFT-UHFFFAOYSA-N |
| MDL Number | MFCD27981333 |
| Molecular Formula | C6H5ClF3NO |
| Molecular Weight | 199.5582 |
| SMILES | FC(c1cncc(c1)O)(F)F.Cl |
| Synonyms | 5-(TRIFLUOROMETHYL)PYRIDIN-3-OL HYDROCHLORIDE,
1820673-40-2,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.557g/mol |
| Monoisotopic Mass | 199.001g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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