| CAS Number | 1016723-46-8 |
| Catalog Number | AG01CABX |
| Chemical Name | 5-Amino-1-[(4-chlorophenyl)methyl]-1,2-dihydropyridin-2-one |
| IUPAC Name | 5-amino-1-[(4-chlorophenyl)methyl]pyridin-2-one |
| InChI | InChI=1S/C12H11ClN2O/c13-10-3-1-9(2-4-10)7-15-8-11(14)5-6-12(15)16/h1-6,8H,7,14H2 |
| InChI Key | DEZQCQPZSAQLOG-UHFFFAOYSA-N |
| MDL Number | MFCD09805816 |
| Molecular Formula | C12H11ClN2O |
| Molecular Weight | 234.6815 |
| SMILES | NC1=CN(CC2=CC=C(Cl)C=C2)C(=O)C=C1 |
| Synonyms | 5-amino-1-(4-chlorobenzyl)pyridin-2(1H)-one,
1016723-46-8,
CTK6H0110,
AKOS000158057,
5-AMINO-1-[(4-CHLOROPHENYL)METHYL]-1,2-DIHYDROPYRIDIN-2-ONE,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.683g/mol |
| Monoisotopic Mass | 234.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number