13544-05-3
Product Name:
METHYL 2-CYANO-2-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]ACETATE
Formula:
C11H7F3N2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 288.18 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 288.03579120 g/mol |
| Monoisotopic Mass | 288.03579120 g/mol |
| Topological Polar Surface Area | 95.9 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 437 |
| 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 |