880644-65-5
Product Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 8-bromo-3-isoquinolinyl ester
Formula:
C10H5BrF3NO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 356.12 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 354.91256 g/mol |
| Monoisotopic Mass | 354.91256 g/mol |
| Topological Polar Surface Area | 64.6 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 423 |
| 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 |