869366-03-0
Product Name:
[3-[4-Chloro-2-(2,6-difluorobenzoyl)phenyl]prop-2-ynyl]carbamic acid tert-butyl ester
Formula:
C21H18ClF2NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 405.8 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 405.0943275 g/mol |
| Monoisotopic Mass | 405.0943275 g/mol |
| Topological Polar Surface Area | 55.4 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 627 |
| 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 |