142818-02-8
Product Name:
1-(TERT-BUTYL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
Formula:
C9H11F3N2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 236.19 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 236.07726208 g/mol |
| Monoisotopic Mass | 236.07726208 g/mol |
| Topological Polar Surface Area | 55.1 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 286 |
| 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 |