| CAS Number | 1227591-86-7 |
| Catalog Number | AG019DV0(AGN-PC-0WBRB9) |
| Chemical Name | 3-Bromo-4-(trifluoromethyl)pyridin-2(1H)-one |
| IUPAC Name | 3-bromo-4-(trifluoromethyl)-1H-pyridin-2-one |
| InChI | InChI=1S/C6H3BrF3NO/c7-4-3(6(8,9)10)1-2-11-5(4)12/h1-2H,(H,11,12) |
| InChI Key | QTMMEPGVXIAKFQ-UHFFFAOYSA-N |
| MDL Number | MFCD16610037 |
| Molecular Formula | C6H3BrF3NO |
| Molecular Weight | 241.9933 |
| SMILES | OC1=C(Br)C(=CC=N1)C(F)(F)F |
| Synonyms | 3-Bromo-2-hydroxy-4-(trifluoromethyl)pyridine,
1227591-86-7,
3-Bromo-4-(trifluoromethyl)pyridin-2(1H)-one,
3-bromo-4-(trifluoromethyl)pyridin-2-ol,
DTXSID30710024,
2560AD,
BBL101925,
STL555722,
ZINC95627777,
AKOS016015416,
FCH1344418,
VP13907,
C6H3BrF3NO,
|
| 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 | 4 |
| 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 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number