| CAS Number | 1549259-16-6 |
| Catalog Number | AG01AN9F |
| Chemical Name | 1-(5-Phenoxypyridin-2-yl)ethan-1-one |
| IUPAC Name | 1-(5-phenoxypyridin-2-yl)ethanone |
| InChI | InChI=1S/C13H11NO2/c1-10(15)13-8-7-12(9-14-13)16-11-5-3-2-4-6-11/h2-9H,1H3 |
| InChI Key | DPPVGRARRCUMGI-UHFFFAOYSA-N |
| MDL Number | MFCD25992161 |
| Molecular Formula | C13H11NO2 |
| Molecular Weight | 213.2319 |
| SMILES | CC(C1=NC=C(OC2=CC=CC=C2)C=C1)=O |
| Synonyms | 1-(5-phenoxypyridin-2-yl)ethan-1-one,
1549259-16-6,
AKOS021441010,
ZINC148025835,
Z2230861690,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.236g/mol |
| Monoisotopic Mass | 213.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number