| CAS Number | 1256807-37-0 |
| Catalog Number | AG009ED0(AGN-PC-0WNOZP) |
| Chemical Name | Ethanone, 1-(5-chloro-3-Methyl-2-pyridinyl)- |
| IUPAC Name | 1-(5-chloro-3-methylpyridin-2-yl)ethanone |
| InChI | InChI=1S/C8H8ClNO/c1-5-3-7(9)4-10-8(5)6(2)11/h3-4H,1-2H3 |
| InChI Key | ZIROULDUQCUOHA-UHFFFAOYSA-N |
| MDL Number | MFCD18258023 |
| Molecular Formula | C8H8ClNO |
| Molecular Weight | 169.6082 |
| SMILES | CC1=CC(=CN=C1C(=O)C)Cl |
| Synonyms | 1-(5-CHLORO-3-METHYLPYRIDIN-2-YL)ETHANONE,
1256807-37-0,
1-(5-CHLORO-3-METHYLPYRIDIN-2-YL)ETHAN-1-ONE,
SCHEMBL17805386,
MFCD18258023,
ZINC95763796,
AB75124,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.608g/mol |
| Monoisotopic Mass | 169.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number