321998-67-8
Product Name:
1-(4-METHYLPHENYL)-4-(1-NITRO-2-NAPHTHYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE
Formula:
C21H14F3N3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 397.3 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 397.10381118 g/mol |
| Monoisotopic Mass | 397.10381118 g/mol |
| Topological Polar Surface Area | 63.6 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 589 |
| 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 |