| CAS Number | 1803562-53-9 |
| Catalog Number | AG01BBE9 |
| Chemical Name | 2-bromo-1-[2-(trifluoromethyl)pyridin-4-yl]ethan-1-one hydrobromide |
| IUPAC Name | 2-bromo-1-[2-(trifluoromethyl)pyridin-4-yl]ethanone;hydrobromide |
| InChI | InChI=1S/C8H5BrF3NO.BrH/c9-4-6(14)5-1-2-13-7(3-5)8(10,11)12;/h1-3H,4H2;1H |
| InChI Key | FLCOABABTPUFMY-UHFFFAOYSA-N |
| MDL Number | MFCD28505975 |
| Molecular Formula | C8H6Br2F3NO |
| Molecular Weight | 348.9425 |
| SMILES | Br.FC(C1=NC=CC(C(CBr)=O)=C1)(F)F |
| Synonyms | 2-bromo-1-[2-(trifluoromethyl)pyridin-4-yl]ethan-1-one hydrobromide,
1803562-53-9,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.875g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.945g/mol |
| Monoisotopic Mass | 346.877g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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