| CAS Number | 730950-03-5 |
| Catalog Number | AG00FC3G |
| Chemical Name | 2-Chloro-N-(2-Cyano-3-Methylbutan-2-Yl)Acetamide |
| IUPAC Name | 2-chloro-N-(2-cyano-3-methylbutan-2-yl)acetamide |
| InChI | InChI=1S/C8H13ClN2O/c1-6(2)8(3,5-10)11-7(12)4-9/h6H,4H2,1-3H3,(H,11,12) |
| InChI Key | VHALIRAGKZTXCA-UHFFFAOYSA-N |
| MDL Number | MFCD04621514 |
| Molecular Formula | C8H13ClN2O |
| Molecular Weight | 188.6546 |
| SMILES | CC(C(C#N)(NC(CCl)=O)C)C |
| Synonyms | 2-Chloro-N-(1-cyano-1,2-dimethyl-propyl)-acetamide,
2-chloro-N-(1-cyano-1,2-dimethylpropyl)acetamide,
730950-03-5,
AC1MXVRM,
AC1Q1O1K,
CTK6H5227,
SBB016599,
AKOS000272512,
AKOS016040544,
MCULE-1306555993,
NE29322,
ST50329663,
EN300-06630,
2-chloro-N-(2-cyano-3-methylbutan-2-yl)acetamide,
J-509041,
ZINC03278094,
CID3796864,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.655g/mol |
| Monoisotopic Mass | 188.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number