| CAS Number | 1215695-69-4 |
| Catalog Number | AG01ER11(AGN-PC-0WCBG2) |
| Chemical Name | 1-(6-(4-Fluorophenyl)pyridin-3-yl)ethanone |
| IUPAC Name | 1-[6-(4-fluorophenyl)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C13H10FNO/c1-9(16)11-4-7-13(15-8-11)10-2-5-12(14)6-3-10/h2-8H,1H3 |
| InChI Key | GPFWOSFNWYVLHZ-UHFFFAOYSA-N |
| MDL Number | MFCD12404910 |
| Molecular Formula | C13H10FNO |
| Molecular Weight | 215.2230 |
| SMILES | C1=C(C2C=CC(F)=CC=2)N=CC(=C1)C(=O)C |
| Synonyms | 1-[6-(4-Fluorophenyl)pyridin-3-yl]ethanone,
1215695-69-4,
1-(6-(4-Fluorophenyl)pyridin-3-yl)ethanone,
CTK7C0129,
KS-00003TJV,
SBB055642,
ZINC40448157,
3-acetyl-6-(4-fluorophenyl)pyridine,
AKOS026675837,
TS-03072,
1-[6-(4-fluorophenyl)pyridin-3-yl]ethan-1-one,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.227g/mol |
| Monoisotopic Mass | 215.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number