| CAS Number | 253129-45-2 |
| Catalog Number | AG019UYI |
| Chemical Name | N-[(2-chlorophenyl)methyl]-N-methyl-3-oxobutanamide |
| IUPAC Name | N-[(2-chlorophenyl)methyl]-N-methyl-3-oxobutanamide |
| InChI | InChI=1S/C12H14ClNO2/c1-9(15)7-12(16)14(2)8-10-5-3-4-6-11(10)13/h3-6H,7-8H2,1-2H3 |
| InChI Key | YZNLWPKFBLUTMR-UHFFFAOYSA-N |
| MDL Number | MFCD09808209 |
| Molecular Formula | C12H14ClNO2 |
| Molecular Weight | 239.6981 |
| SMILES | CN(C(CC(C)=O)=O)CC1=C(Cl)C=CC=C1 |
| Synonyms | N-[(2-chlorophenyl)methyl]-N-methyl-3-oxobutanamide,
253129-45-2,
AC1Q3XB6,
CTK5J9969,
ZINC19409250,
AKOS000166156,
NE28837,
EN300-43210,
N-(2-Chlorobenzyl)-N-methyl-3-oxobutanamide,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.699g/mol |
| Monoisotopic Mass | 239.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number