5106-00-3
Product Name:
(S)-METHYL 3-(4-HYDROXY-3-NITROPHENYL)-2-(2,2,2-TRIFLUOROACETYLAMINO)PROPIONATE
Formula:
C12H11F3N2O6
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COMPUTED DESCRIPTORS
| Molecular Weight | 336.22 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 336.05692056 g/mol |
| Monoisotopic Mass | 336.05692056 g/mol |
| Topological Polar Surface Area | 121 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 465 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |