| CAS Number | 1909309-97-2 |
| Catalog Number | AG01C573 |
| Chemical Name | ethyl 2-{[2-(tert-butoxy)-2-oxoethyl]sulfanyl}-2,2-difluoroacetate |
| IUPAC Name | ethyl 2,2-difluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylacetate |
| InChI | InChI=1S/C10H16F2O4S/c1-5-15-8(14)10(11,12)17-6-7(13)16-9(2,3)4/h5-6H2,1-4H3 |
| InChI Key | AYIYLDBLFYUBNB-UHFFFAOYSA-N |
| MDL Number | MFCD29907061 |
| Molecular Formula | C10H16F2O4S |
| Molecular Weight | 270.2934 |
| SMILES | CCOC(C(SCC(OC(C)(C)C)=O)(F)F)=O |
| Synonyms | ethyl 2-{[2-(tert-butoxy)-2-oxoethyl]sulfanyl}-2,2-difluoroacetate,
1909309-97-2,
ZINC334163753,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.291g/mol |
| Monoisotopic Mass | 270.074g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 77.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number