52208-99-8
Product Name:
Benzene, 1,1'-[1-methyl-1-[(trifluoromethyl)sulfonyl]-1,2-ethanediyl]bis- (9CI)
Formula:
C16H15F3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 328.4 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 328.07448538 g/mol |
| Monoisotopic Mass | 328.07448538 g/mol |
| Topological Polar Surface Area | 42.5 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 455 |
| 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 |