77147-93-4
Product Name:
3-(4-CHLOROBENZOYL)-4,4-BIS(METHYLSULFANYL)-3-BUTENENITRILE
Formula:
C13H12ClNOS2
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COMPUTED DESCRIPTORS
| Molecular Weight | 297.8 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 297.0048840 g/mol |
| Monoisotopic Mass | 297.0048840 g/mol |
| Topological Polar Surface Area | 91.5 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 372 |
| 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 |