| CAS Number | 1111110-54-3 |
| Catalog Number | AG007BHW(AGN-PC-0WA6SU) |
| Chemical Name | 2-Hydroxy-6-(4-Trifluoromethylphenyl)Pyridine |
| IUPAC Name | 6-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one |
| InChI | InChI=1S/C12H8F3NO/c13-12(14,15)9-6-4-8(5-7-9)10-2-1-3-11(17)16-10/h1-7H,(H,16,17) |
| InChI Key | DWKCKXNQFDMEDU-UHFFFAOYSA-N |
| MDL Number | MFCD11876114 |
| Molecular Formula | C12H8F3NO |
| Molecular Weight | 239.1932 |
| SMILES | FC(c1ccc(cc1)c1cccc(n1)O)(F)F |
| Synonyms | 1111110-54-3,
6-(4-(Trifluoromethyl)phenyl)pyridin-2-ol,
2-HYDROXY-6-(4-TRIFLUOROMETHYLPHENYL)PYRIDINE,
ACMC-20998c,
CTK8A9242,
DTXSID90671743,
ANW-16234,
MFCD11876114,
ZINC44062902,
AKOS015892184,
AJ-109104,
AX8230168,
TC-104979,
ST24024215,
Z7340,
A-2961,
6-[4-(Trifluoromethyl)phenyl]pyridin-2(1H)-one,
I02-3554,
C12H8F3NO,
|
| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.197g/mol |
| Monoisotopic Mass | 239.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number