| CAS Number | 128173-43-3 |
| Catalog Number | AG01B1M0 |
| Chemical Name | 2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]acetamide |
| IUPAC Name | 2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]acetamide |
| InChI | InChI=1S/C11H10Cl2N2O/c1-7(15-11(16)4-5-14)9-3-2-8(12)6-10(9)13/h2-3,6-7H,4H2,1H3,(H,15,16) |
| InChI Key | OJVSVGOYUZEMQH-UHFFFAOYSA-N |
| MDL Number | MFCD11128724 |
| Molecular Formula | C11H10Cl2N2O |
| Molecular Weight | 257.1159 |
| SMILES | CC(C1=C(Cl)C=C(Cl)C=C1)NC(CC#N)=O |
| Synonyms | 2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]acetamide,
128173-43-3,
AKOS000205557,
AKOS023027467,
MCULE-1735842006,
NE38475,
BC930727,
EN300-172230,
Z1688498730,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.114g/mol |
| Monoisotopic Mass | 256.017g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number