618099-06-2
Product Name:
1-(4-BROMOPHENYL)-3-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-6-YL)-1H-PYRAZOLE-4-CARBALDEHYDE
Formula:
C18H13BrN2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 385.2 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 384.01095 g/mol |
| Monoisotopic Mass | 384.01095 g/mol |
| Topological Polar Surface Area | 53.4 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 444 |
| 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 |