| CAS Number | 1163707-68-3 |
| Catalog Number | AG01BB1T |
| Chemical Name | methyl 2,2-dimethyl-3-(trifluoromethanesulfonyloxy)propanoate |
| IUPAC Name | methyl 2,2-dimethyl-3-(trifluoromethylsulfonyloxy)propanoate |
| InChI | InChI=1S/C7H11F3O5S/c1-6(2,5(11)14-3)4-15-16(12,13)7(8,9)10/h4H2,1-3H3 |
| InChI Key | SFGPVHJRBMESDV-UHFFFAOYSA-N |
| MDL Number | MFCD30486452 |
| Molecular Formula | C7H11F3O5S |
| Molecular Weight | 264.2194 |
| SMILES | COC(C(COS(C(F)(F)F)(=O)=O)(C)C)=O |
| Synonyms | 1163707-68-3,
methyl 2,2-dimethyl-3-(trifluoromethanesulfonyloxy)propanoate,
SCHEMBL1938913,
SFGPVHJRBMESDV-UHFFFAOYSA-N,
ZINC117588665,
2,2-dimethyl-3-trifluoromethanesulfonyloxy-propionic acid methyl ester,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.215g/mol |
| Monoisotopic Mass | 264.028g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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