2098093-96-8
Product Name:
1H-Pyrazole-4-carboxylic acid, 1-(cyanomethyl)-3-(trifluoromethyl)-, methyl ester
Formula:
C8H6F3N3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 233.15 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 233.04121093 g/mol |
| Monoisotopic Mass | 233.04121093 g/mol |
| Topological Polar Surface Area | 67.9 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 322 |
| 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 |