| CAS Number | 28884-94-8 |
| Catalog Number | AG01BK6S |
| Chemical Name | N-(4-Chlorobutyl)acetamide |
| IUPAC Name | N-(4-chlorobutyl)acetamide |
| InChI | InChI=1S/C6H12ClNO/c1-6(9)8-5-3-2-4-7/h2-5H2,1H3,(H,8,9) |
| InChI Key | ZYKGFMGIBSMFRZ-UHFFFAOYSA-N |
| MDL Number | MFCD19222821 |
| Molecular Formula | C6H12ClNO |
| Molecular Weight | 149.6186 |
| SMILES | CC(NCCCCCl)=O |
| Synonyms | N-(4-chlorobutyl)acetamide,
28884-94-8,
SCHEMBL7321886,
AKOS006359393,
ZINC104630730,
|
| Complexity | 85.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.618g/mol |
| Monoisotopic Mass | 149.061g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number