| CAS Number | 919111-20-9 |
| Catalog Number | AG0068DF(AGN-PC-03BXT6) |
| Chemical Name | 2-CHLORO-1-(2,2-DIMETHYLPYRROLIDIN-1-YL)ETHANONE |
| IUPAC Name | 2-chloro-1-(2,2-dimethylpyrrolidin-1-yl)ethanone |
| InChI | InChI=1S/C8H14ClNO/c1-8(2)4-3-5-10(8)7(11)6-9/h3-6H2,1-2H3 |
| InChI Key | HAFGJOPZTUOENG-UHFFFAOYSA-N |
| MDL Number | MFCD18295230 |
| Molecular Formula | C8H14ClNO |
| Molecular Weight | 175.6559 |
| SMILES | CC1(N(C(CCl)=O)CCC1)C |
| Synonyms | 919111-20-9,
2-Chloro-1-(2,2-dimethylpyrrolidin-1-yl)ethanone,
2-chloro-1-(2,2-dimethylpyrrolidin-1-yl)ethan-1-one,
Ethanone, 2-chloro-1-(2,2-dimethyl-1-pyrrolidinyl)-,
SCHEMBL11847774,
CTK3H4368,
DTXSID70614759,
MFCD18295230,
ZINC63067265,
AKOS012522343,
NE57026,
AS-39265,
Z1562137142,
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| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.656g/mol |
| Monoisotopic Mass | 175.076g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number