| CAS Number | 866326-59-2 |
| Catalog Number | AG01C5AV(AGN-PC-0NHN6J) |
| Chemical Name | 1-(5-Phenylpyridin-2-yl)ethan-1-one |
| IUPAC Name | 1-(5-phenylpyridin-2-yl)ethanone |
| InChI | InChI=1S/C13H11NO/c1-10(15)13-8-7-12(9-14-13)11-5-3-2-4-6-11/h2-9H,1H3 |
| InChI Key | LRAHSIJOXHGDRW-UHFFFAOYSA-N |
| MDL Number | MFCD16304443 |
| Molecular Formula | C13H11NO |
| Molecular Weight | 197.2325 |
| SMILES | CC(C1=NC=C(C2=CC=CC=C2)C=C1)=O |
| Synonyms | 1-(5-phenylpyridin-2-yl)ethan-1-one,
866326-59-2,
Ethanone, 1-(5-phenyl-2-pyridinyl)-,
SCHEMBL6264166,
ZINC41208984,
AKOS022302356,
Z2429425560,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.237g/mol |
| Monoisotopic Mass | 197.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number