290825-52-4
Product Name:
Dimethyl [2-nitro-4-(trifluoromethyl)phenyl]malonate
Formula:
C12H10F3NO6
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COMPUTED DESCRIPTORS
| Molecular Weight | 321.21 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 321.04602153 g/mol |
| Monoisotopic Mass | 321.04602153 g/mol |
| Topological Polar Surface Area | 98.4 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 431 |
| 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 |