| CAS Number | 1158075-57-0 |
| Catalog Number | AG019PAS |
| Chemical Name | 2-chloro-N-(1-cyano-1-methylethyl)-N-methylacetamide |
| IUPAC Name | 2-chloro-N-(2-cyanopropan-2-yl)-N-methylacetamide |
| InChI | InChI=1S/C7H11ClN2O/c1-7(2,5-9)10(3)6(11)4-8/h4H2,1-3H3 |
| InChI Key | YXMRZCNUPULPAU-UHFFFAOYSA-N |
| MDL Number | MFCD13195794 |
| Molecular Formula | C7H11ClN2O |
| Molecular Weight | 174.6280 |
| SMILES | CN(C(C#N)(C)C)C(CCl)=O |
| Synonyms | 2-chloro-N-(1-cyano-1-methylethyl)-N-methylacetamide,
1158075-57-0,
AC1Q3VSV,
SCHEMBL4629758,
CTK6H4769,
ZINC38338202,
AKOS009075745,
NE38149,
EN300-23014,
Z2628012969,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.628g/mol |
| Monoisotopic Mass | 174.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number