1025617-12-2
Product Name:
N-{(E)-2-[(4-bromophenyl)sulfonyl]-2-nitroethenyl}-3,5-bis(trifluoromethyl)aniline
Formula:
C16H9BrF6N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 519.2 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 4 |
| Exact Mass | 517.93706 g/mol |
| Monoisotopic Mass | 517.93706 g/mol |
| Topological Polar Surface Area | 100 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 730 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |