| CAS Number | 1226808-64-5 |
| Catalog Number | AG0017M2(AGN-PC-09PZQR) |
| Chemical Name | Pyridine, 3-bromo-2-(methylthio)-5-(trifluoromethyl)- |
| IUPAC Name | 3-bromo-2-methylsulfanyl-5-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C7H5BrF3NS/c1-13-6-5(8)2-4(3-12-6)7(9,10)11/h2-3H,1H3 |
| InChI Key | PGEREEIUJMZQTJ-UHFFFAOYSA-N |
| MDL Number | MFCD16295130 |
| Molecular Formula | C7H5BrF3NS |
| Molecular Weight | 272.0855 |
| SMILES | FC(C1=CN=C(SC)C(Br)=C1)(F)F |
| Synonyms | 3-Bromo-2-(methylthio)-5-(trifluoromethyl)pyridine,
1226808-64-5,
ACMC-209alx,
C7H5BrF3NS,
CTK4B3214,
DTXSID40682440,
ANW-18019,
MFCD16295130,
ZINC65337500,
AKOS015834037,
FCH1398384,
AJ-115193,
AX8229820,
TR-034963,
ST24022708,
Z8640,
B-2340,
I02-3130,
3-Bromo-2-(methylsulfanyl)-5-(trifluoromethyl)pyridine,
Pyridine, 3-bromo-2-(methylthio)-5-(trifluoromethyl)-,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.928g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.083g/mol |
| Monoisotopic Mass | 270.928g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number