1025259-86-2
Product Name:
3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE
Formula:
C22H14ClF3N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 494.9 g/mol |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 494.0314903 g/mol |
| Monoisotopic Mass | 494.0314903 g/mol |
| Topological Polar Surface Area | 97.7 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 846 |
| 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 |