477713-57-8
Product Name:
[3-(METHYLAMINO)-4-NITRO-1H-PYRAZOL-1-YL][3-(TRIFLUOROMETHYL)PHENYL]METHANONE
Formula:
C12H9F3N4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 314.22 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 314.06267465 g/mol |
| Monoisotopic Mass | 314.06267465 g/mol |
| Topological Polar Surface Area | 92.7 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 440 |
| 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 |