2060028-81-9
Product Name:
2(1H)-Isoquinolinecarboxylic acid, 8-bromo-3,4-dihydro-5-nitro-, 1,1-dimethylethyl ester
Formula:
C14H17BrN2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 357.20 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 356.03717 g/mol |
| Monoisotopic Mass | 356.03717 g/mol |
| Topological Polar Surface Area | 75.4 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 418 |
| 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 |