| CAS Number | 953780-29-5 |
| Catalog Number | AG01AN98 |
| Chemical Name | [5-(2,2,2-Trifluoroethoxy)pyridin-2-yl]methanol |
| IUPAC Name | [5-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol |
| InChI | InChI=1S/C8H8F3NO2/c9-8(10,11)5-14-7-2-1-6(4-13)12-3-7/h1-3,13H,4-5H2 |
| InChI Key | KYPHIGVGVMAUHO-UHFFFAOYSA-N |
| MDL Number | MFCD20485694 |
| Molecular Formula | C8H8F3NO2 |
| Molecular Weight | 207.1498 |
| SMILES | OCC1=NC=C(OCC(F)(F)F)C=C1 |
| Synonyms | [5-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol,
953780-29-5,
(5-(2,2,2-Trifluoroethoxy)pyridin-2-yl)methanol,
SCHEMBL1063185,
KYPHIGVGVMAUHO-UHFFFAOYSA-N,
ZINC86336235,
AKOS017975038,
Y6528,
A1-01029,
C8H8F3NO2,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.152g/mol |
| Monoisotopic Mass | 207.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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