672951-88-1
Product Name:
Ethyl 2,2-difluoro-2-(3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazol-1-yl)acetate
Formula:
C10H10F5N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 331.26 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 8 |
| Exact Mass | 331.04138855 g/mol |
| Monoisotopic Mass | 331.04138855 g/mol |
| Topological Polar Surface Area | 82.3 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 406 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |