908111-35-3
Product Name:
2-bromo-4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzonitrile
Formula:
C17H13BrF3N3O
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COMPUTED DESCRIPTORS
| Molecular Weight | 412.2 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 411.01941 g/mol |
| Monoisotopic Mass | 411.01941 g/mol |
| Topological Polar Surface Area | 58.7 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 600 |
| 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 |