1956317-87-5
Product Name:
TERT-BUTYL 7-BROMO-1-OXO-1,2-DIHYDROISOQUINOLINE-4-CARBOXYLATE
Formula:
C14H14BrNO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 324.17 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 323.01571 g/mol |
| Monoisotopic Mass | 323.01571 g/mol |
| Topological Polar Surface Area | 55.4 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 425 |
| 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 |