| CAS Number | 1259915-95-1 |
| Catalog Number | AG019VOF(AGN-PC-0WO706) |
| Chemical Name | 2-chloro-N-(3,3-dimethylbutyl)acetamide |
| IUPAC Name | 2-chloro-N-(3,3-dimethylbutyl)acetamide |
| InChI | InChI=1S/C8H16ClNO/c1-8(2,3)4-5-10-7(11)6-9/h4-6H2,1-3H3,(H,10,11) |
| InChI Key | DCSMYYDTXPAMJC-UHFFFAOYSA-N |
| MDL Number | MFCD18785433 |
| Molecular Formula | C8H16ClNO |
| Molecular Weight | 177.6717 |
| SMILES | CC(CCNC(CCl)=O)(C)C |
| Synonyms | 2-chloro-N-(3,3-dimethylbutyl)acetamide,
1259915-95-1,
SCHEMBL1554131,
ZINC62146618,
AKOS026728378,
NE35277,
EN300-47632,
Z1562124944,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.672g/mol |
| Monoisotopic Mass | 177.092g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number