65018-89-5
Product Name:
6-CYANO-TRANS-3-BROMO-3,4-DIHYDRO-2,2-DIMETHYL-2H-BENZO-[B]-PYRAN-4-OL
Formula:
C12H12BrNO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 282.13 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 281.00514 g/mol |
| Monoisotopic Mass | 281.00514 g/mol |
| Topological Polar Surface Area | 53.2 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 322 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |