845617-19-8
Product Name:
5-Methylsulfonyl-2-(2,2,2-trifluoro-1-Methylethoxy)benzoic acid Methyl ester
Formula:
C12H13F3O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 326.29 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 326.04357917 g/mol |
| Monoisotopic Mass | 326.04357917 g/mol |
| Topological Polar Surface Area | 78 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 468 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |