612505-78-9
Product Name:
Benzo[b]thiophene-3-carbonitrile, 2-nitro- (9CI)
Formula:
C9H4N2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 204.21 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 203.99934855 g/mol |
| Monoisotopic Mass | 203.99934855 g/mol |
| Topological Polar Surface Area | 97.8 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 293 |
| 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 |