956778-75-9
Product Name:
1H-Pyrazole-4-carboxylic acid, 5-(trifluoromethyl)-1-[4-(trifluoromethyl)-2-thiazolyl]-
Formula:
C9H3F6N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 331.20 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 2 |
| Exact Mass | 330.98501649 g/mol |
| Monoisotopic Mass | 330.98501649 g/mol |
| Topological Polar Surface Area | 96.2 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 417 |
| 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 |