| CAS Number | 857201-58-2 |
| Catalog Number | AG00G52R(AGN-PC-0WQX3Z) |
| Chemical Name | 3-CHLORO-1-METHYLPYRIDIN-4(1H)-ONE |
| IUPAC Name | 3-chloro-1-methylpyridin-4-one |
| InChI | InChI=1S/C6H6ClNO/c1-8-3-2-6(9)5(7)4-8/h2-4H,1H3 |
| InChI Key | SGXZJRISNDLSSU-UHFFFAOYSA-N |
| MDL Number | MFCD20327964 |
| Molecular Formula | C6H6ClNO |
| Molecular Weight | 143.5709 |
| SMILES | Cn1ccc(=O)c(c1)Cl |
| Synonyms | 3-Chloro-1-methylpyridin-4(1H)-one,
857201-58-2,
ZINC95616297,
C-0096,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.57g/mol |
| Monoisotopic Mass | 143.014g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number