| CAS Number | 1197825-54-9 |
| Catalog Number | AG019WUS |
| Chemical Name | N-(4-formyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide |
| IUPAC Name | N-(4-formyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide |
| InChI | InChI=1S/C13H9F3N2O2S/c1-8(20)18(12-17-10(6-19)7-21-12)11-4-2-9(3-5-11)13(14,15)16/h2-7H,1H3 |
| InChI Key | PZLQWLRSLIAFNI-UHFFFAOYSA-N |
| MDL Number | MFCD12913225 |
| Molecular Formula | C13H9F3N2O2S |
| Molecular Weight | 314.2830 |
| SMILES | CC(N(C1=CC=C(C(F)(F)F)C=C1)C1SC=C(C=O)N=1)=O |
| Synonyms | N-(4-formyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide,
1197825-54-9,
AC1Q1K7A,
CTK7I0509,
ZINC38342158,
AKOS030663563,
MCULE-7406368641,
NE29344,
EN300-53208,
|
| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.282g/mol |
| Monoisotopic Mass | 314.034g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number