343373-32-0
Product Name:
2-(5-Oxo-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetonitrile
Formula:
C11H7F3N4O
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COMPUTED DESCRIPTORS
| Molecular Weight | 268.19 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 268.05719535 g/mol |
| Monoisotopic Mass | 268.05719535 g/mol |
| Topological Polar Surface Area | 59.7 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 439 |
| 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 |