| CAS Number | 1820712-52-4 |
| Catalog Number | AG00I10S |
| Chemical Name | 5-Bromo-1-methyl-2-(trifluoromethyl)pyridin-4-one |
| IUPAC Name | 5-bromo-1-methyl-2-(trifluoromethyl)pyridin-4-one |
| InChI | InChI=1S/C7H5BrF3NO/c1-12-3-4(8)5(13)2-6(12)7(9,10)11/h2-3H,1H3 |
| InChI Key | WSLAYDYHJFEXQA-UHFFFAOYSA-N |
| MDL Number | MFCD28385215 |
| Molecular Formula | C7H5BrF3NO |
| Molecular Weight | 256.0199 |
| SMILES | FC(c1cc(=O)c(cn1C)Br)(F)F |
| Synonyms | 1820712-52-4,
5-Bromo-1-methyl-2-(trifluoromethyl)pyridin-4(1H)-one,
5-BROMO-1-METHYL-2-(TRIFLUOROMETHYL)PYRIDIN-4-ONE,
AKOS027367933,
ZINC217048340,
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| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.022g/mol |
| Monoisotopic Mass | 254.951g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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