| CAS Number | 1209700-14-0 |
| Catalog Number | AG019WUP |
| Chemical Name | N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide |
| IUPAC Name | N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide |
| InChI | InChI=1S/C13H10ClF3N2OS/c1-8(20)19(12-18-10(6-14)7-21-12)11-4-2-9(3-5-11)13(15,16)17/h2-5,7H,6H2,1H3 |
| InChI Key | RDAWMRIUYZEKHG-UHFFFAOYSA-N |
| MDL Number | MFCD12913223 |
| Molecular Formula | C13H10ClF3N2OS |
| Molecular Weight | 334.7445 |
| SMILES | CC(N(C1=CC=C(C(F)(F)F)C=C1)C1SC=C(CCl)N=1)=O |
| Synonyms | N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide,
1209700-14-0,
AC1Q1K7Q,
CTK6H6816,
STL302026,
ZINC38342155,
AKOS016042555,
MCULE-3435006188,
NE22942,
EN300-53202,
|
| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.741g/mol |
| Monoisotopic Mass | 334.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number