324009-04-3
Product Name:
Ethyl 2-([4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl)propanoate
Formula:
C11H12F3N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 307.29 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 307.06023229 g/mol |
| Monoisotopic Mass | 307.06023229 g/mol |
| Topological Polar Surface Area | 93.2 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 410 |
| 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 |