| CAS Number | 1545087-40-8 |
| Catalog Number | AG01DKDG |
| Chemical Name | 1-[2-(4-aminophenoxy)pyridin-4-yl]ethan-1-one |
| IUPAC Name | 1-[2-(4-aminophenoxy)pyridin-4-yl]ethanone |
| InChI | InChI=1S/C13H12N2O2/c1-9(16)10-6-7-15-13(8-10)17-12-4-2-11(14)3-5-12/h2-8H,14H2,1H3 |
| InChI Key | YTCDKHZJJHCLME-UHFFFAOYSA-N |
| MDL Number | MFCD31706395 |
| Molecular Formula | C13H12N2O2 |
| Molecular Weight | 228.2466 |
| SMILES | CC(=O)c1ccnc(Oc2ccc(N)cc2)c1 |
| Synonyms | 4-Acetyl-2-(4-aminophenoxy) pyridine,
1545087-40-8,
CS-0059903,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.251g/mol |
| Monoisotopic Mass | 228.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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