| CAS Number | 333389-44-9 |
| Catalog Number | AG00CNNO(AGN-PC-00KAU9) |
| Chemical Name | 2-Chloro-N-(3,3-dimethyl-2-oxobutyl)acetamide |
| IUPAC Name | 2-chloro-N-(3,3-dimethyl-2-oxobutyl)acetamide |
| InChI | InChI=1S/C8H14ClNO2/c1-8(2,3)6(11)5-10-7(12)4-9/h4-5H2,1-3H3,(H,10,12) |
| InChI Key | WWHZELYGAZRGKC-UHFFFAOYSA-N |
| MDL Number | MFCD12403812 |
| Molecular Formula | C8H14ClNO2 |
| Molecular Weight | 191.6553 |
| SMILES | ClCC(=O)NCC(=O)C(C)(C)C |
| Synonyms | 2-Chloro-N-(3,3-dimethyl-2-oxobutyl)acetamide,
333389-44-9,
Acetamide, 2-chloro-N-(3,3-dimethyl-2-oxobutyl)-,
SCHEMBL3467454,
DTXSID20514199,
WWHZELYGAZRGKC-UHFFFAOYSA-N,
MFCD12403812,
ZINC39351199,
AJ-99981,
AX8249506,
N-chloroacetyl-1-amino-3,3-dimethyl-2-butanone,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.655g/mol |
| Monoisotopic Mass | 191.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number