| CAS Number | 1809098-74-5 |
| Catalog Number | AG01DFMR |
| Chemical Name | 1-[6-(2-benzoyl-4-methoxyphenoxy)pyridin-3-yl]ethan-1-one |
| IUPAC Name | 1-[6-(2-benzoyl-4-methoxyphenoxy)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C21H17NO4/c1-14(23)16-8-11-20(22-13-16)26-19-10-9-17(25-2)12-18(19)21(24)15-6-4-3-5-7-15/h3-13H,1-2H3 |
| InChI Key | KRDRTZXRZVJWIG-UHFFFAOYSA-N |
| MDL Number | MFCD31652830 |
| Molecular Formula | C21H17NO4 |
| Molecular Weight | 347.3640 |
| SMILES | COc1ccc(Oc2ccc(cn2)C(C)=O)c(c1)C(=O)c1ccccc1 |
| Synonyms | 5-Acetyl-2-(2-benzoyl-4-methoxyphenoxy) pyridine,
1809098-74-5,
CS-0059921,
1-(6-(2-Benzoyl-4-methoxyphenoxy)pyridin-3-yl)ethan-1-one,
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| Complexity | 488 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.37g/mol |
| Monoisotopic Mass | 347.116g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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