| CAS Number | 1211526-50-9 |
| Catalog Number | AG0096W5(AGN-PC-0WNN68) |
| Chemical Name | 2-Bromo-6-(trifluoromethyl)pyridin-3-ol |
| IUPAC Name | 2-bromo-6-(trifluoromethyl)pyridin-3-ol |
| InChI | InChI=1S/C6H3BrF3NO/c7-5-3(12)1-2-4(11-5)6(8,9)10/h1-2,12H |
| InChI Key | HMOAJSVNWQZSAL-UHFFFAOYSA-N |
| MDL Number | MFCD15478054 |
| Molecular Formula | C6H3BrF3NO |
| Molecular Weight | 241.9933 |
| SMILES | OC1=C(Br)N=C(C(F)(F)F)C=C1 |
| Synonyms | 1211526-50-9,
2-bromo-6-(trifluoromethyl)pyridin-3-ol,
2-Bromo-3-hydroxy-6-(trifluoromethyl)pyridine,
ZINC47218619,
AKOS026727419,
NE40176,
WT81750,
PS-11619,
3-Hydroxy-2-bromo-6-trifluoromethylpyridine,
|
| Complexity | 163 |
| 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 | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number