205755-86-8
Product Name:
rac 6-Chloro-1,4-dihydro-4-(1-pentynyl)-4-(trifluoroMethyl)-2H-3,1-
benzoxazin-2-one
Formula:
C14H11ClF3NO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 317.69 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 317.0430408 g/mol |
| Monoisotopic Mass | 317.0430408 g/mol |
| Topological Polar Surface Area | 38.3 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 482 |
| 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 |