13544-04-2
Product Name:
ETHYL ALPHA-CYANO-2-NITRO-4-(TRIFLUOROMETHYL)PHENYLACETATE
Formula:
C12H9F3N2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 302.21 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 302.05144126 g/mol |
| Monoisotopic Mass | 302.05144126 g/mol |
| Topological Polar Surface Area | 95.9 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 452 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |