883543-16-6
Product Name:
JR-13994, 5-(Trifluoromethyl)-3-(4-(trifluoromethyl)phenyl)isoxazole-4-carboxylic acid, 97%
Formula:
C12H5F6NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 325.16 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 2 |
| Exact Mass | 325.01736199 g/mol |
| Monoisotopic Mass | 325.01736199 g/mol |
| Topological Polar Surface Area | 63.3 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 416 |
| 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 |