| CAS Number | 253273-98-2 |
| Catalog Number | AG01C3OX(AGN-PC-00P712) |
| Chemical Name | 5-chloro-1-(4-methylphenyl)-1,2-dihydropyridin-2-one |
| IUPAC Name | 5-chloro-1-(4-methylphenyl)pyridin-2-one |
| InChI | InChI=1S/C12H10ClNO/c1-9-2-5-11(6-3-9)14-8-10(13)4-7-12(14)15/h2-8H,1H3 |
| InChI Key | VZUQKEKAIVQGEW-UHFFFAOYSA-N |
| MDL Number | MFCD14281981 |
| Molecular Formula | C12H10ClNO |
| Molecular Weight | 219.6669 |
| SMILES | CC1=CC=C(N2C(=O)C=CC(Cl)=C2)C=C1 |
| Synonyms | 5-Chloro-1-(4-methylphenyl)pyridin-2(1H)-one,
253273-98-2,
ALBB-019884,
MFCD14281981,
ZINC32919140,
AKOS000265959,
5-Chloro-1-(p-tolyl)pyridin-2(1H)-one,
1-(4-Methylphenyl)-5-chloropyridine-2(1H)-one,
2(1H)-Pyridinone, 5-chloro-1-(4-methylphenyl)-,
5-chloro-1-(4-methylphenyl)-1,2-dihydropyridin-2-one,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.668g/mol |
| Monoisotopic Mass | 219.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number