924992-35-8
Product Name:
JR-8053, 3-(3-Chloro-6-methylbenzo[b]thiophen-2-yl)-3-oxopropanenitrile, 97%
Formula:
C12H8ClNOS
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COMPUTED DESCRIPTORS
| Molecular Weight | 249.72 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 249.0015127 g/mol |
| Monoisotopic Mass | 249.0015127 g/mol |
| Topological Polar Surface Area | 69.1 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 337 |
| 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 |