914776-40-2
Product Name:
5-amino-2-(trifluoromethylsulfonyl)benzonitrile
Formula:
C8H5F3N2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 250.20 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 250.00238307 g/mol |
| Monoisotopic Mass | 250.00238307 g/mol |
| Topological Polar Surface Area | 92.3 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 403 |
| 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 |