| CAS Number | 16539-51-8 |
| Catalog Number | AG00AWX1 |
| Chemical Name | N-(4-Chloro-2-methoxy-phenyl)-3-oxo-butyramide |
| IUPAC Name | N-(4-chloro-2-methoxyphenyl)-3-oxobutanamide |
| InChI | InChI=1S/C11H12ClNO3/c1-7(14)5-11(15)13-9-4-3-8(12)6-10(9)16-2/h3-4,6H,5H2,1-2H3,(H,13,15) |
| InChI Key | DEUYYSQQVMVIDJ-UHFFFAOYSA-N |
| MDL Number | MFCD03966902 |
| Molecular Formula | C11H12ClNO3 |
| Molecular Weight | 241.6709 |
| SMILES | COC1=C(NC(CC(C)=O)=O)C=CC(Cl)=C1 |
| Synonyms | N-(4-chloro-2-methoxyphenyl)-3-oxobutanamide,
16539-51-8,
AKOS000115061,
MCULE-5058602564,
NE58923,
EN300-01477,
ZINC03276891,
CID2392357,
N-(4-Chloro-2-methoxy-phenyl)-3-oxo-butyramide,
4'-Chloro-2'-methoxyacetoacetanilide,
AC1M66RB,
AC1Q45RB,
SCHEMBL10624511,
CTK6J7927,
ZINC3276891,
MFCD03966902,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.671g/mol |
| Monoisotopic Mass | 241.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number