901926-70-3
Product Name:
5-Isoxazolecarboxylic acid, 3-[4-(trifluoromethyl)phenyl]-
Formula:
C11H6F3NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 257.16 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 257.02997754 g/mol |
| Monoisotopic Mass | 257.02997754 g/mol |
| Topological Polar Surface Area | 63.3 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 313 |
| 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 |