| CAS Number | 105590-03-2 |
| Catalog Number | AG009Q0F(AGN-PC-00MZGP) |
| Chemical Name | 4-(chloromethyl)-1,2-dihydropyridin-2-one |
| IUPAC Name | 4-(chloromethyl)-1H-pyridin-2-one |
| InChI | InChI=1S/C6H6ClNO/c7-4-5-1-2-8-6(9)3-5/h1-3H,4H2,(H,8,9) |
| InChI Key | YWRJRFJXQDZWEO-UHFFFAOYSA-N |
| MDL Number | MFCD10697556 |
| Molecular Formula | C6H6ClNO |
| Molecular Weight | 143.5709 |
| SMILES | ClCC1=CC(=O)NC=C1 |
| Synonyms | 105590-03-2,
4-(CHLOROMETHYL)PYRIDIN-2(1H)-ONE,
SCHEMBL9494732,
ZINC34085642,
AKOS006303894,
AB59907,
4-(CHLOROMETHYL)-2(1H)-PYRIDINONE,
4-(chloromethyl)-1,2-dihydropyridin-2-one,
2(1H)-PYRIDINONE, 4-(CHLOROMETHYL)-,
4-(Chloromethyl)-1H-pyridin-2-one,
2(1H)-Pyridinone, 4-(chloromethyl)- (9CI),
|
| Complexity | 184 |
| 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 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.57g/mol |
| Monoisotopic Mass | 143.014g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
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