| CAS Number | 1306604-49-8 |
| Catalog Number | AG019VOA |
| Chemical Name | 2-Chloro-n-(1-[4-(trifluoromethoxy)phenyl]ethyl)acetamide |
| IUPAC Name | 2-chloro-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide |
| InChI | InChI=1S/C11H11ClF3NO2/c1-7(16-10(17)6-12)8-2-4-9(5-3-8)18-11(13,14)15/h2-5,7H,6H2,1H3,(H,16,17) |
| InChI Key | QLZKQLKMOXKABO-UHFFFAOYSA-N |
| MDL Number | MFCD18838635 |
| Molecular Formula | C11H11ClF3NO2 |
| Molecular Weight | 281.6587 |
| SMILES | CC(C1=CC=C(OC(F)(F)F)C=C1)NC(CCl)=O |
| Synonyms | 2-chloro-N-{1-[4-(trifluoromethoxy)phenyl]ethyl}acetamide,
1306604-49-8,
NE19970,
EN300-47596,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.659g/mol |
| Monoisotopic Mass | 281.043g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number