| CAS Number | 1216541-77-3 |
| Catalog Number | AG01ER1I(AGN-PC-0WCBG3) |
| Chemical Name | 1-(6-(3-Fluorophenyl)pyridin-3-yl)ethanone |
| IUPAC Name | 1-[6-(3-fluorophenyl)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C13H10FNO/c1-9(16)11-5-6-13(15-8-11)10-3-2-4-12(14)7-10/h2-8H,1H3 |
| InChI Key | WRGZFVQEJDAGFJ-UHFFFAOYSA-N |
| MDL Number | MFCD12404911 |
| Molecular Formula | C13H10FNO |
| Molecular Weight | 215.2230 |
| SMILES | C1=C(C2C=CC=C(F)C=2)N=CC(=C1)C(=O)C |
| Synonyms | 1-[6-(3-Fluorophenyl)pyridin-3-yl]ethanone,
1216541-77-3,
1-(6-(3-Fluorophenyl)pyridin-3-yl)ethanone,
CTK7C1765,
KS-00003TJW,
SBB055643,
ZINC40448158,
3-acetyl-6-(3-fluorophenyl)pyridine,
AKOS026675838,
TS-03073,
1-[6-(3-fluorophenyl)pyridin-3-yl]ethan-1-one,
|
| Complexity | 256 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number