| CAS Number | 1803590-33-1 |
| Catalog Number | AG019VMD |
| Chemical Name | 2-chloro-N-(3-methyl-2-phenylbutyl)acetamide |
| IUPAC Name | 2-chloro-N-(3-methyl-2-phenylbutyl)acetamide |
| InChI | InChI=1S/C13H18ClNO/c1-10(2)12(9-15-13(16)8-14)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,16) |
| InChI Key | DLOSSWWCWDDILT-UHFFFAOYSA-N |
| MDL Number | MFCD28954461 |
| Molecular Formula | C13H18ClNO |
| Molecular Weight | 239.7411 |
| SMILES | CC(C(C1=CC=CC=C1)CNC(CCl)=O)C |
| Synonyms | 2-chloro-N-(3-methyl-2-phenylbutyl)acetamide,
1803590-33-1,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.743g/mol |
| Monoisotopic Mass | 239.108g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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