| CAS Number | 1196156-74-7 |
| Catalog Number | AG008X8B(AGN-PC-0WR0KP) |
| Chemical Name | 5-Bromo-2-(trifluoromethyl)-4-hydroxypyridine |
| IUPAC Name | 5-bromo-2-(trifluoromethyl)-1H-pyridin-4-one |
| InChI | InChI=1S/C6H3BrF3NO/c7-3-2-11-5(1-4(3)12)6(8,9)10/h1-2H,(H,11,12) |
| InChI Key | WYYQXVGBZRSUGC-UHFFFAOYSA-N |
| MDL Number | MFCD13189951 |
| Molecular Formula | C6H3BrF3NO |
| Molecular Weight | 241.9933 |
| SMILES | c1c(c(cnc1C(F)(F)F)Br)O |
| Synonyms | 1196156-74-7,
5-BROMO-2-(TRIFLUOROMETHYL)PYRIDIN-4-OL,
5-BROMO-2-(TRIFLUOROMETHYL)-4-HYDROXYPYRIDINE,
ZINC95616333,
AKOS027430940,
AB69451,
5-Bromo-4-hydroxy-2-(trifluoromethyl)pyridine,
C-0534,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.995g/mol |
| Monoisotopic Mass | 240.935g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number