2098087-71-7
Product Name:
1H-Pyrazole-4-acetic acid, 1-methyl-3-(trifluoromethyl)-, methyl ester
Formula:
C8H9F3N2O2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 222.16 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 222.06161202 g/mol |
| Monoisotopic Mass | 222.06161202 g/mol |
| Topological Polar Surface Area | 44.1 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 245 |
| 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 |