| CAS Number | 1039946-66-1 |
| Catalog Number | AG01B1NT |
| Chemical Name | 1-(4-Chloro-2-fluorophenyl)-2-(pyridin-2-yl)ethan-1-one |
| IUPAC Name | 1-(4-chloro-2-fluorophenyl)-2-pyridin-2-ylethanone |
| InChI | InChI=1S/C13H9ClFNO/c14-9-4-5-11(12(15)7-9)13(17)8-10-3-1-2-6-16-10/h1-7H,8H2 |
| InChI Key | SUKAXDVIBUIWDE-UHFFFAOYSA-N |
| MDL Number | MFCD11188621 |
| Molecular Formula | C13H9ClFNO |
| Molecular Weight | 249.6681 |
| SMILES | FC1=C(C(CC2=NC=CC=C2)=O)C=CC(Cl)=C1 |
| Synonyms | 1-(4-chloro-2-fluorophenyl)-2-(pyridin-2-yl)ethan-1-one,
1039946-66-1,
ZINC20427245,
AKOS005878884,
MCULE-2637849165,
NE15083,
Z1809367513,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.669g/mol |
| Monoisotopic Mass | 249.036g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number