72133-68-7
Product Name:
2-Pyridinecarboxylic acid, 5-(2-(trifluoromethyl)phenoxy)-, 2,3-dihydr o-1H-inden-5-yl ester
Formula:
C22H16F3NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 399.4 g/mol |
|---|---|
| XLogP3 | 5.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 399.10822786 g/mol |
| Monoisotopic Mass | 399.10822786 g/mol |
| Topological Polar Surface Area | 48.4 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 570 |
| 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 |