581797-29-7
Product Name:
AG 490, m-CF3
Formula:
C18H13F3N2O3
Synonyms:
AG 490, m-CF₃ - CAS 581797-29-7 - Calbiochem;NSC D722757, α-Cyano-(3,4-dihydroxy)-N-( m-trifluoromethyl)benzylcinnamide, 5H4;NSC D722757, α-Cyano-(3,4-dihydroxy)-N-(m-trifluoromethyl)benzylcinnamide, 5H4
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COMPUTED DESCRIPTORS
| Molecular Weight | 362.3 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 362.08782677 g/mol |
| Monoisotopic Mass | 362.08782677 g/mol |
| Topological Polar Surface Area | 93.4 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 582 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |