423158-52-5
Product Name:
3-(4-CHLORO-1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL)BENZONITRILE
Formula:
C16H9ClN2O
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COMPUTED DESCRIPTORS
| Molecular Weight | 280.71 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 280.0403406 g/mol |
| Monoisotopic Mass | 280.0403406 g/mol |
| Topological Polar Surface Area | 52.9 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 478 |
| 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 |