| CAS Number | 1607436-59-8 |
| Catalog Number | AG01DK1C |
| Chemical Name | 1-[6-(2,4-di-tert-butylphenoxy)pyridin-3-yl]ethan-1-one |
| IUPAC Name | 1-[6-(2,4-ditert-butylphenoxy)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C21H27NO2/c1-14(23)15-8-11-19(22-13-15)24-18-10-9-16(20(2,3)4)12-17(18)21(5,6)7/h8-13H,1-7H3 |
| InChI Key | ZFWRIMLJVMJIRU-UHFFFAOYSA-N |
| MDL Number | MFCD31706396 |
| Molecular Formula | C21H27NO2 |
| Molecular Weight | 325.4446 |
| SMILES | CC(=O)c1ccc(Oc2ccc(cc2C(C)(C)C)C(C)(C)C)nc1 |
| Synonyms | 5-Acetyl-2-(2,4-di-tert-butylphenoxy) pyridine,
1607436-59-8,
CS-0059919,
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| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.204g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.452g/mol |
| Monoisotopic Mass | 325.204g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
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Certificate of Analysis
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