| CAS Number | 1427701-11-8 |
| Catalog Number | AG01FAO2(AGN-PC-0WCK3M) |
| Chemical Name | 6-Bromo-2-fluoro-3-(trifluoromethyl)pyridine |
| IUPAC Name | 6-bromo-2-fluoro-3-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C6H2BrF4N/c7-4-2-1-3(5(8)12-4)6(9,10)11/h1-2H |
| InChI Key | OLLUDQWOPOFTHM-UHFFFAOYSA-N |
| MDL Number | MFCD28291783 |
| Molecular Formula | C6H2BrF4N |
| Molecular Weight | 243.9844 |
| SMILES | BrC1=CC=C(C(=N1)F)C(F)(F)F |
| Synonyms | 6-Bromo-2-fluoro-3-(trifluoromethyl)pyridine,
1427701-11-8,
Pyridine, 6-bromo-2-fluoro-3-(trifluoromethyl)-,
ZINC263624224,
ACN-055596,
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| 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 | 3.2 |
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Certificate of Analysis
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