| CAS Number | 1211520-05-6 |
| Catalog Number | AG01BCJM |
| Chemical Name | 2-Bromo-3-methyl-5-(trifluoromethyl)pyridine |
| IUPAC Name | 2-bromo-3-methyl-5-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C7H5BrF3N/c1-4-2-5(7(9,10)11)3-12-6(4)8/h2-3H,1H3 |
| InChI Key | RNGBFMIZEULODE-UHFFFAOYSA-N |
| MDL Number | MFCD18257684 |
| Molecular Formula | C7H5BrF3N |
| Molecular Weight | 240.0205 |
| SMILES | BrC1=NC=C(C=C1C)C(F)(F)F |
| Synonyms | 2-bromo-3-methyl-5-(trifluoromethyl)pyridine,
1211520-05-6,
ZINC238495779,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.023g/mol |
| Monoisotopic Mass | 238.956g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number