474329-72-1
Product Name:
4-(2-Nitro-4-trifluoromethyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
Formula:
C16H20F3N3O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 375.34 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 375.14059061 g/mol |
| Monoisotopic Mass | 375.14059061 g/mol |
| Topological Polar Surface Area | 78.6 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 522 |
| 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 |