| CAS Number | 1216474-77-9 |
| Catalog Number | AG01ER1G(AGN-PC-0WCBG4) |
| Chemical Name | 1-[6-(4-Chlorophenyl)pyridin-3-yl]ethanone |
| IUPAC Name | 1-[6-(4-chlorophenyl)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C13H10ClNO/c1-9(16)11-4-7-13(15-8-11)10-2-5-12(14)6-3-10/h2-8H,1H3 |
| InChI Key | YBJLYPBXQIKGHV-UHFFFAOYSA-N |
| MDL Number | MFCD12404912 |
| Molecular Formula | C13H10ClNO |
| Molecular Weight | 231.6776 |
| SMILES | C1=C(C2C=CC(Cl)=CC=2)N=CC(=C1)C(=O)C |
| Synonyms | 1-[6-(4-Chlorophenyl)pyridin-3-yl]ethanone,
1216474-77-9,
CTK6G9679,
KS-00003TNQ,
SBB055644,
ZINC40448159,
3-acetyl-6-(4-chlorophenyl)pyridine,
AKOS026675888,
TS-03293,
1-[6-(4-chlorophenyl)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 | 231.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.679g/mol |
| Monoisotopic Mass | 231.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number