861208-31-3
Product Name:
4H-Naphtho[2,3-b]pyran-3-carbonitrile, 2-amino-7-bromo-4-[2-(trifluoromethyl)phenyl]-
Formula:
C21H12BrF3N2O
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COMPUTED DESCRIPTORS
| Molecular Weight | 445.2 g/mol |
|---|---|
| XLogP3 | 6.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 444.00851 g/mol |
| Monoisotopic Mass | 444.00851 g/mol |
| Topological Polar Surface Area | 59 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 685 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |