| CAS Number | 344776-74-5 |
| Catalog Number | AG019EPJ(AGN-PC-0WQVL5) |
| Chemical Name | 2-Chloro-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol |
| IUPAC Name | 2-chloro-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol |
| InChI | InChI=1S/C7H5ClF3NO2/c8-6-4(13)2-1-3(12-6)5(14)7(9,10)11/h1-2,5,13-14H |
| InChI Key | CKPRMYICFAOSPJ-UHFFFAOYSA-N |
| MDL Number | MFCD31555268 |
| Molecular Formula | C7H5ClF3NO2 |
| Molecular Weight | 227.5683 |
| SMILES | OC(C(F)(F)F)c1ccc(c(n1)Cl)O |
| Synonyms | 2-chloro-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol,
344776-74-5,
SCHEMBL16533583,
CS-0037256,
alpha-(Trifluoromethyl)-5-hydroxy-6-chloro-2-pyridinemethanol,
2-chloro-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol(WXC06272),
CID10537303,
2-chloro-6-(2,2,2-trifluoro-1-hydroxy-ethyl)pyridin-3-ol,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.567g/mol |
| Monoisotopic Mass | 226.996g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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