| CAS Number | 1227496-51-6 |
| Catalog Number | AG009EVC(AGN-PC-0WD80N) |
| Chemical Name | 5-Bromo-2-(chloromethyl)-3-fluoropyridine |
| IUPAC Name | 5-bromo-2-(chloromethyl)-3-fluoropyridine |
| InChI | InChI=1S/C6H4BrClFN/c7-4-1-5(9)6(2-8)10-3-4/h1,3H,2H2 |
| InChI Key | VRCLSNFHTTYJHF-UHFFFAOYSA-N |
| MDL Number | MFCD16608190 |
| Molecular Formula | C6H4BrClFN |
| Molecular Weight | 224.4581 |
| SMILES | BrC=1C=C(C(=NC1)CCl)F |
| Synonyms | 5-Bromo-2-(chloromethyl)-3-fluoropyridine,
1227496-51-6,
SCHEMBL16213143,
MFCD16608190,
ZINC238575976,
AS-36009,
5-bromo-2-(chloromethyl)-3-fluoropyridine, 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 | 222.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.457g/mol |
| Monoisotopic Mass | 222.92g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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