| CAS Number | 1357946-44-1 |
| Catalog Number | AG009E4A(AGN-PC-0WNW1K) |
| Chemical Name | 2-Bromo-5-fluoro-3-(methylthio)pyridine |
| IUPAC Name | 2-bromo-5-fluoro-3-methylsulfanylpyridine |
| InChI | InChI=1S/C6H5BrFNS/c1-10-5-2-4(8)3-9-6(5)7/h2-3H,1H3 |
| InChI Key | HAXAGOWQZKIMTG-UHFFFAOYSA-N |
| MDL Number | MFCD22380471 |
| Molecular Formula | C6H5BrFNS |
| Molecular Weight | 222.0780 |
| SMILES | BrC1=NC=C(C=C1SC)F |
| Synonyms | 2-Bromo-5-fluoro-3-(methylthio)pyridine,
1357946-44-1,
MFCD22380471,
ZINC95616436,
AKOS027439230,
C-0580,
2-bromo-5-fluoro-3-(methylthio)pyridine, 95% - 1G 1g,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.075g/mol |
| Monoisotopic Mass | 220.931g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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