944906-63-2
Product Name:
5-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-carboxylic acid
Formula:
C10H6F3N3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 257.17 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 257.04121093 g/mol |
| Monoisotopic Mass | 257.04121093 g/mol |
| Topological Polar Surface Area | 78.9 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 324 |
| 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 |