| CAS Number | 1311314-95-0 |
| Catalog Number | AG019VQA |
| Chemical Name | 2-chloro-N-{[4-fluoro-2-(trifluoromethyl)phenyl]methyl}acetamide |
| IUPAC Name | 2-chloro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide |
| InChI | InChI=1S/C10H8ClF4NO/c11-4-9(17)16-5-6-1-2-7(12)3-8(6)10(13,14)15/h1-3H,4-5H2,(H,16,17) |
| InChI Key | HRGWDZDMRIGQLM-UHFFFAOYSA-N |
| MDL Number | MFCD18785437 |
| Molecular Formula | C10H8ClF4NO |
| Molecular Weight | 269.6232 |
| SMILES | FC1=CC(C(F)(F)F)=C(CNC(CCl)=O)C=C1 |
| Synonyms | 2-chloro-N-{[4-fluoro-2-(trifluoromethyl)phenyl]methyl}acetamide,
1311314-95-0,
ZINC62146650,
AKOS023051215,
NE19797,
EN300-48176,
Z1562125558,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.624g/mol |
| Monoisotopic Mass | 269.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number