865659-08-1
Product Name:
N-(5-BROMO-6-OXO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-4-YL)-2,2,2-TRIFLUOROACETAMIDE
Formula:
C9H5BrF3NO2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 328.11 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 326.91765 g/mol |
| Monoisotopic Mass | 326.91765 g/mol |
| Topological Polar Surface Area | 74.4 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 363 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |