620548-05-2
Product Name:
tert-butyl 2-[[(2Z)-2-[(4-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
Formula:
C21H19NO7
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COMPUTED DESCRIPTORS
| Molecular Weight | 397.4 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 397.11615195 g/mol |
| Monoisotopic Mass | 397.11615195 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 668 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |