| CAS Number | 1227602-53-0 |
| Catalog Number | AG019CI7(AGN-PC-0WBRQR) |
| Chemical Name | 3-Chloro-2-hydroxy-4-(trifluoromethyl)pyridine |
| IUPAC Name | 3-chloro-4-(trifluoromethyl)-1H-pyridin-2-one |
| InChI | InChI=1S/C6H3ClF3NO/c7-4-3(6(8,9)10)1-2-11-5(4)12/h1-2H,(H,11,12) |
| InChI Key | ZZFPCFLEFFDVII-UHFFFAOYSA-N |
| MDL Number | MFCD16610510 |
| Molecular Formula | C6H3ClF3NO |
| Molecular Weight | 197.5423 |
| SMILES | Oc1nccc(c1Cl)C(F)(F)F |
| Synonyms | 3-CHLORO-2-HYDROXY-4-(TRIFLUOROMETHYL)PYRIDINE,
1227602-53-0,
3-chloro-4-(trifluoromethyl)pyridin-2-ol,
DTXSID20706890,
2563AD,
BBL101924,
STL555721,
ZINC95627776,
AKOS016015415,
AB71219,
FCH1172250,
2-Hydroxy-3-chloro-4-(trifluoromethyl)pyridine,
3-Chloro-4-(trifluoromethyl)pyridin-2(1H)-one,
A1-07262,
C6H3ClF3NO,
ACN-055599,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.541g/mol |
| Monoisotopic Mass | 196.986g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number