| CAS Number | 1226507-25-0 |
| Catalog Number | AG01ACG1 |
| Chemical Name | 2,2,2-Trifluoro-1-(6-methylpyridin-3-yl)ethan-1-ol |
| IUPAC Name | 2,2,2-trifluoro-1-(6-methylpyridin-3-yl)ethanol |
| InChI | InChI=1S/C8H8F3NO/c1-5-2-3-6(4-12-5)7(13)8(9,10)11/h2-4,7,13H,1H3 |
| InChI Key | RQESUEHADLLVGN-UHFFFAOYSA-N |
| MDL Number | MFCD18276813 |
| Molecular Formula | C8H8F3NO |
| Molecular Weight | 191.1504 |
| SMILES | CC1=NC=C(C(C(F)(F)F)O)C=C1 |
| Synonyms | 1226507-25-0,
2,2,2-trifluoro-1-(6-methylpyridin-3-yl)ethan-1-ol,
3-Pyridinemethanol, 6-methyl-alpha-(trifluoromethyl)-,
SCHEMBL2421653,
RQESUEHADLLVGN-UHFFFAOYSA-N,
AKOS012456969,
2-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)pyridine,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.153g/mol |
| Monoisotopic Mass | 191.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number