956949-84-1
Product Name:
2-(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1-(4-CHLOROPHENYL)-1-ETHANONE
Formula:
C13H12BrClN2O
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COMPUTED DESCRIPTORS
| Molecular Weight | 327.60 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 325.98215 g/mol |
| Monoisotopic Mass | 325.98215 g/mol |
| Topological Polar Surface Area | 34.9 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 307 |
| 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 |