| CAS Number | 1557799-55-9 |
| Catalog Number | AG01DFJ3 |
| Chemical Name | 5-ACetyl-2-(4-iodophenoxy) pyridine |
| IUPAC Name | 1-[6-(4-iodophenoxy)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C13H10INO2/c1-9(16)10-2-7-13(15-8-10)17-12-5-3-11(14)4-6-12/h2-8H,1H3 |
| InChI Key | VULLCYKUNCFVPH-UHFFFAOYSA-N |
| MDL Number | MFCD25744756 |
| Molecular Formula | C13H10INO2 |
| Molecular Weight | 339.1285 |
| SMILES | CC(=O)c1ccc(Oc2ccc(I)cc2)nc1 |
| Synonyms | 5-Acetyl-2-(4-iodophenoxy) pyridine,
1557799-55-9,
AKOS020878890,
CS-0059939,
1-(6-(4-Iodophenoxy)pyridin-3-yl)ethan-1-one,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.132g/mol |
| Monoisotopic Mass | 338.976g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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