| CAS Number | 1227577-05-0 |
| Catalog Number | AG00A0M5(AGN-PC-0WNNA5) |
| Chemical Name | 2-Bromo-3-fluoro-4-(trifluoromethyl)pyridine |
| IUPAC Name | 2-bromo-3-fluoro-4-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C6H2BrF4N/c7-5-4(8)3(1-2-12-5)6(9,10)11/h1-2H |
| InChI Key | DUFDOQWDICLWTQ-UHFFFAOYSA-N |
| MDL Number | MFCD16609968 |
| Molecular Formula | C6H2BrF4N |
| Molecular Weight | 243.9844 |
| SMILES | FC1=C(C(F)(F)F)C=CN=C1Br |
| Synonyms | 2-bromo-3-fluoro-4-(trifluoromethyl)pyridine,
1227577-05-0,
ZINC98210124,
AKOS026744801,
ACN-056289,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.987g/mol |
| Monoisotopic Mass | 242.931g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number