306977-64-0
Product Name:
N-(1,1-DIMETHYL-2-PROPYNYL)-3-[4-NITRO-3-(TRIFLUOROMETHYL)PHENOXY]-2-THIOPHENECARBOXAMIDE
Formula:
C17H13F3N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 398.4 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 398.05481256 g/mol |
| Monoisotopic Mass | 398.05481256 g/mol |
| Topological Polar Surface Area | 112 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 626 |
| 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 |