1260638-02-5
Product Name:
ETHYL 2-(4-CHLORO-PHENYL)-6-BROMO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLATE
Formula:
C18H17BrClNO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 394.7 g/mol |
|---|---|
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 393.01312 g/mol |
| Monoisotopic Mass | 393.01312 g/mol |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 414 |
| 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 |