113123-08-3
Product Name:
1-(2,2,2-TRIFLUOROACETYL)-1A,5B-DIHYDROTHIENO[2',3':4,5]CYCLOPENTA[1,2-B]AZIREN-2(1H)-ONE
Formula:
C9H4F3NO2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 247.20 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 246.99148403 g/mol |
| Monoisotopic Mass | 246.99148403 g/mol |
| Topological Polar Surface Area | 65.4 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 383 |
| 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 |