| CAS Number | 2138005-71-5 |
| Catalog Number | AG01EJDV |
| Chemical Name | 5-amino-1-[(3-chlorophenyl)methyl]-1,2-dihydropyridin-2-one hydrochloride |
| IUPAC Name | 5-amino-1-[(3-chlorophenyl)methyl]pyridin-2-one;hydrochloride |
| InChI | InChI=1S/C12H11ClN2O.ClH/c13-10-3-1-2-9(6-10)7-15-8-11(14)4-5-12(15)16;/h1-6,8H,7,14H2;1H |
| InChI Key | PHQUVFCRPFHNPG-UHFFFAOYSA-N |
| MDL Number | MFCD31457102 |
| Molecular Formula | C12H12Cl2N2O |
| Molecular Weight | 271.1425 |
| SMILES | Cl.NC1=CN(CC2=CC(Cl)=CC=C2)C(=O)C=C1 |
| Synonyms | 5-amino-1-[(3-chlorophenyl)methyl]-1,2-dihydropyridin-2-one hydrochloride,
2138005-71-5,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.141g/mol |
| Monoisotopic Mass | 270.033g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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