| CAS Number | 1179829-40-3 |
| Catalog Number | AG019VM9(AGN-PC-0WOAU8) |
| Chemical Name | 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)acetamide |
| IUPAC Name | 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)acetamide |
| InChI | InChI=1S/C5H7ClF3NO/c1-10(4(11)2-6)3-5(7,8)9/h2-3H2,1H3 |
| InChI Key | MTJCJMIEJODJJX-UHFFFAOYSA-N |
| MDL Number | MFCD12798886 |
| Molecular Formula | C5H7ClF3NO |
| Molecular Weight | 189.5634 |
| SMILES | CN(C(CCl)=O)CC(F)(F)F |
| Synonyms | 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)acetamide,
1179829-40-3,
ZINC37654109,
AKOS010026181,
NE33560,
EN300-46669,
Z1562129094,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.562g/mol |
| Monoisotopic Mass | 189.017g/mol |
| Rotatable Bond Count | 2 |
| 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
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