51418-86-1
Product Name:
ETHYL 6-BROMO-2,7-DIHYDRO-4-METHYL-2,7-DIOXO-3H-DIBENZO(F,IJ) ISOQUINOLINECARBOXYLATE
Formula:
C20H14BrNO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 412.2 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 411.01062 g/mol |
| Monoisotopic Mass | 411.01062 g/mol |
| Topological Polar Surface Area | 72.5 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 687 |
| 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 |