| CAS Number | 1227598-39-1 |
| Catalog Number | AG000JE4(AGN-PC-0WCYHD) |
| Chemical Name | 4-Chloro-2-fluoro-3-methylpyridine |
| IUPAC Name | 4-chloro-2-fluoro-3-methylpyridine |
| InChI | InChI=1S/C6H5ClFN/c1-4-5(7)2-3-9-6(4)8/h2-3H,1H3 |
| InChI Key | PWYXXEZJJOFUML-UHFFFAOYSA-N |
| MDL Number | MFCD16610392 |
| Molecular Formula | C6H5ClFN |
| Molecular Weight | 145.5620 |
| SMILES | CC1=C(Cl)C=CN=C1F |
| Synonyms | 4-Chloro-2-fluoro-3-methylpyridine,
1227598-39-1,
ZINC238499035,
FCH1151645,
Pyridine, 4-chloro-2-fluoro-3-methyl-,
AX8271591,
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| Complexity | 99.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.561g/mol |
| Monoisotopic Mass | 145.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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