| CAS Number | 329942-52-1 |
| Catalog Number | AG01FH22(AGN-PC-0CO8R6) |
| Chemical Name | N-Methoxy-n-methyl-3-[(trifluoromethyl)thio]benzamide |
| IUPAC Name | N-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide |
| InChI | InChI=1S/C10H10F3NO2S/c1-14(16-2)9(15)7-4-3-5-8(6-7)17-10(11,12)13/h3-6H,1-2H3 |
| InChI Key | GYNLWCLIWIJDPC-UHFFFAOYSA-N |
| MDL Number | MFCD28384422 |
| Molecular Formula | C10H10F3NO2S |
| Molecular Weight | 265.2521 |
| SMILES | CON(C(=O)c1cccc(c1)SC(F)(F)F)C |
| Synonyms | N-Methoxy-N-methyl-3-[(trifluoromethyl)sulphanyl]benzamide,
329942-52-1,
SCHEMBL14419406,
MFCD28384422,
ZINC169809097,
PS-11096,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.25g/mol |
| Monoisotopic Mass | 265.038g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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