| CAS Number | 543717-62-0 |
| Catalog Number | AG01A96K |
| Chemical Name | 4-chloro-N-propylbutanamide |
| IUPAC Name | 4-chloro-N-propylbutanamide |
| InChI | InChI=1S/C7H14ClNO/c1-2-6-9-7(10)4-3-5-8/h2-6H2,1H3,(H,9,10) |
| InChI Key | JWDRIUIZEWDSCP-UHFFFAOYSA-N |
| MDL Number | MFCD03375644 |
| Molecular Formula | C7H14ClNO |
| Molecular Weight | 163.6452 |
| SMILES | CCCNC(CCCCl)=O |
| Synonyms | 4-chloro-N-propylbutanamide,
543717-62-0,
MFCD03375644,
4-Chloro-N-n-propylbutyramide,
AC1N528Z,
CTK6E5238,
ZINC6043288,
AKOS000147671,
4-chloro-N-propyl-butanamide,
CID4188290,
|
| Complexity | 95.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.645g/mol |
| Monoisotopic Mass | 163.076g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number