916326-31-3
Product Name:
1H-Pyrazolo[3,4-b]pyridine-1-carboxylic acid, 5-broMo-3-iodo-, 1,1-diMethylethyl ester
Formula:
C11H11BrIN3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 424.03 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 422.90794 g/mol |
| Monoisotopic Mass | 422.90794 g/mol |
| Topological Polar Surface Area | 57 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 337 |
| 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 |