| CAS Number | 1052722-33-4 |
| Catalog Number | AG01DDQV |
| Chemical Name | 5-(Trifluoromethoxy)-1,2-dihydropyridin-2-one |
| IUPAC Name | 5-(trifluoromethoxy)-1H-pyridin-2-one |
| InChI | InChI=1S/C6H4F3NO2/c7-6(8,9)12-4-1-2-5(11)10-3-4/h1-3H,(H,10,11) |
| InChI Key | ZCEMHHMTDMCTPA-UHFFFAOYSA-N |
| MDL Number | MFCD25450567 |
| Molecular Formula | C6H4F3NO2 |
| Molecular Weight | 179.0967 |
| SMILES | O=C1C=CC(OC(F)(F)F)=CN1 |
| Synonyms | 5-(Trifluoromethoxy)pyridin-2-ol,
1052722-33-4,
5-(trifluoromethoxy)-1,2-dihydropyridin-2-one,
2(1H)-Pyridinone, 5-(trifluoromethoxy)-,
MFCD25450567,
ZINC220699620,
SB21562,
AS-48416,
Z2440429242,
|
| 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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