| CAS Number | 1017-24-9 |
| Catalog Number | AG0094KI(AGN-PC-0NEWVU) |
| Chemical Name | 2-Phenyl-1-(pyridin-4-yl)ethan-1-one |
| IUPAC Name | 2-phenyl-1-pyridin-4-ylethanone |
| InChI | InChI=1S/C13H11NO/c15-13(12-6-8-14-9-7-12)10-11-4-2-1-3-5-11/h1-9H,10H2 |
| InChI Key | SZKXYKRLZRYFMJ-UHFFFAOYSA-N |
| MDL Number | MFCD12153293 |
| Molecular Formula | C13H11NO |
| Molecular Weight | 197.2325 |
| SMILES | O=C(C1=CC=NC=C1)CC2=CC=CC=C2 |
| Synonyms | 1017-24-9,
2-Phenyl-1-(pyridin-4-yl)ethanone,
2-phenyl-1-(pyridin-4-yl)ethan-1-one,
4-(Phenylacetyl)pyridine,
benzyl 4-pyridyl ketone,
SCHEMBL1515846,
SZKXYKRLZRYFMJ-UHFFFAOYSA-N,
2-Phenyl-1-(4-pyridinyl)ethanone,
2-Phenyl-1-pyiridin-4-yl-ethanone,
MFCD12153293,
ZINC34611716,
AKOS010014976,
MCULE-5475039668,
NE45582,
Ethanone, 2-phenyl-1-(4-pyridinyl)-,
AJ-89730,
Z1272096619,
1-(4-pyridinyl)-2-phenylethanone,
2-phenyl-1-pyridin-4-yl-ethanone,
CID11041704,
|
| Complexity | 203 |
| 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 | 3 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number