| CAS Number | 1361737-94-1 |
| Catalog Number | AG01E7SX |
| Chemical Name | 4-(Trifluoromethoxy)pyridin-2-ol |
| IUPAC Name | 4-(trifluoromethoxy)-1H-pyridin-2-one |
| InChI | InChI=1S/C6H4F3NO2/c7-6(8,9)12-4-1-2-10-5(11)3-4/h1-3H,(H,10,11) |
| InChI Key | XAQDTPWOBVWLCV-UHFFFAOYSA-N |
| MDL Number | MFCD25450566 |
| Molecular Formula | C6H4F3NO2 |
| Molecular Weight | 179.0967 |
| SMILES | OC1=NC=CC(OC(F)(F)F)=C1 |
| Synonyms | 1361737-94-1,
4-(trifluoromethoxy)pyridin-2-ol,
MFCD25450566,
AKOS033976704,
ZINC238707673,
4-(Trifluoromethoxy)-2(1H)-pyridinone,
4-(trifluoromethoxy)-1,2-dihydropyridin-2-one,
Z2679906771,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.098g/mol |
| Monoisotopic Mass | 179.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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