| CAS Number | 1421961-60-5 |
| Catalog Number | AG01BS6S |
| Chemical Name | [6-chloro-4-(trifluoromethyl)pyridin-2-yl]methanol |
| IUPAC Name | [6-chloro-4-(trifluoromethyl)pyridin-2-yl]methanol |
| InChI | InChI=1S/C7H5ClF3NO/c8-6-2-4(7(9,10)11)1-5(3-13)12-6/h1-2,13H,3H2 |
| InChI Key | GMFLYTWXOJUEMK-UHFFFAOYSA-N |
| MDL Number | MFCD23381353 |
| Molecular Formula | C7H5ClF3NO |
| Molecular Weight | 211.5689 |
| SMILES | OCC1=NC(Cl)=CC(C(F)(F)F)=C1 |
| Synonyms | 1421961-60-5,
(6-Chloro-4-(trifluoromethyl)pyridin-2-yl)methanol,
[6-chloro-4-(trifluoromethyl)pyridin-2-yl]methanol,
SCHEMBL18379218,
ZINC159449524,
2-Chloro-4-(trifluoromethyl)pyridine-6-methanol,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.568g/mol |
| Monoisotopic Mass | 211.001g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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