2159123-11-0
Product Name:
tert-butyl 6-(difluoromethyl)-5-fluoro-8-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate
Formula:
C15H18F3NO3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 317.30 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 317.12387792 g/mol |
| Monoisotopic Mass | 317.12387792 g/mol |
| Topological Polar Surface Area | 49.8 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 413 |
| 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 |