| CAS Number | 78734-62-0 |
| Catalog Number | AG00G3TJ |
| Chemical Name | 2-chloro-N-(1-cyano-1-cyclopropylethyl)acetamide |
| IUPAC Name | 2-chloro-N-(1-cyano-1-cyclopropylethyl)acetamide |
| InChI | InChI=1S/C8H11ClN2O/c1-8(5-10,6-2-3-6)11-7(12)4-9/h6H,2-4H2,1H3,(H,11,12) |
| InChI Key | MKSQURQXAPQYAE-UHFFFAOYSA-N |
| MDL Number | MFCD04626514 |
| Molecular Formula | C8H11ClN2O |
| Molecular Weight | 186.6387 |
| SMILES | O=C(NC(C1CC1)(C#N)C)CCl |
| Synonyms | 2-chloro-N-(1-cyano-1-cyclopropylethyl)acetamide,
78734-62-0,
CTK6H5233,
AKOS027427137,
MCULE-9073000467,
NE17661,
EN300-06928,
J-509042,
AC1MVTNP,
AC1Q2BIP,
ZINC03886762,
CID3713387,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.055991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.64g/mol |
| Monoisotopic Mass | 186.055991g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.9Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number