223671-44-1
Product Name:
3-(1,4-DICHLORO-1,2-DIHYDROISOQUINOLIN-7-YL)BENZONITRILE
Formula:
C16H8Cl2N2
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COMPUTED DESCRIPTORS
| Molecular Weight | 301.2 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 300.0221037 g/mol |
| Monoisotopic Mass | 300.0221037 g/mol |
| Topological Polar Surface Area | 35.8 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 439 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |