85822-93-1
Product Name:
Phosphorothioic acid, O-(3-bromo-2-cyano-1-phenyl-1-propen-1-yl) O,O-diethyl ester
Formula:
C14H17BrNO3PS
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COMPUTED DESCRIPTORS
| Molecular Weight | 390.23 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 388.98501 g/mol |
| Monoisotopic Mass | 388.98501 g/mol |
| Topological Polar Surface Area | 83.6 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 444 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |