1246210-11-6
Product Name:
2(1H)-Isoquinolinecarboxylic acid, 7-bromo-3,4-dihydro-6-methyl-, 1,1-dimethylethyl ester
Formula:
C15H20BrNO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 326.23 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 325.06774 g/mol |
| Monoisotopic Mass | 325.06774 g/mol |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 340 |
| 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 |