| CAS Number | 1700360-00-4 |
| Catalog Number | AG01ANFS |
| Chemical Name | 1-(3-chloropyridin-2-yl)butan-1-one |
| IUPAC Name | 1-(3-chloropyridin-2-yl)butan-1-one |
| InChI | InChI=1S/C9H10ClNO/c1-2-4-8(12)9-7(10)5-3-6-11-9/h3,5-6H,2,4H2,1H3 |
| InChI Key | HERPPZJKEDPSDE-UHFFFAOYSA-N |
| MDL Number | MFCD29041079 |
| Molecular Formula | C9H10ClNO |
| Molecular Weight | 183.6348 |
| SMILES | CCCC(C1=C(Cl)C=CC=N1)=O |
| Synonyms | 1-(3-chloropyridin-2-yl)butan-1-one,
1700360-00-4,
ZINC232916622,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.635g/mol |
| Monoisotopic Mass | 183.045g/mol |
| Rotatable Bond Count | 3 |
| 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