| CAS Number | 2140305-66-2 |
| Catalog Number | AG01EGZ4 |
| Chemical Name | 3-(Benzyloxy)-5-chloro-1-ethylpyridin-2-one |
| IUPAC Name | 5-chloro-1-ethyl-3-phenylmethoxypyridin-2-one |
| InChI | InChI=1S/C14H14ClNO2/c1-2-16-9-12(15)8-13(14(16)17)18-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3 |
| InChI Key | RRDQRUDGIRURFD-UHFFFAOYSA-N |
| MDL Number | MFCD30834429 |
| Molecular Formula | C14H14ClNO2 |
| Molecular Weight | 263.7195 |
| SMILES | CCn1cc(Cl)cc(c1=O)OCc1ccccc1 |
| Synonyms | 3-(Benzyloxy)-5-chloro-1-ethylpyridin-2-one,
2140305-66-2,
|
| Complexity | 370 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.721g/mol |
| Monoisotopic Mass | 263.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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