318239-35-9
Product Name:
METHYL 2-([4-CYANO-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL]SULFANYL)BENZENECARBOXYLATE
Formula:
C14H10F3N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 341.31 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 341.04458223 g/mol |
| Monoisotopic Mass | 341.04458223 g/mol |
| Topological Polar Surface Area | 93.2 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 493 |
| 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 |