914201-21-1
Product Name:
5-Pyrimidinecarboxylic acid, 4-(2-methylphenyl)-2-(trifluoromethyl)-
Formula:
C13H9F3N2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 282.22 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 282.06161202 g/mol |
| Monoisotopic Mass | 282.06161202 g/mol |
| Topological Polar Surface Area | 63.1 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 362 |
| 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 |