700372-26-5
Product Name:
1H-Pyrazole-4-carboxylic acid, 1-(4-carboxyphenyl)-5-(trifluoromethyl)-, 4-ethyl ester
Formula:
C14H11F3N2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 328.24 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 328.06709132 g/mol |
| Monoisotopic Mass | 328.06709132 g/mol |
| Topological Polar Surface Area | 81.4 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 450 |
| 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 |