929478-45-5
Product Name:
[(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-1-benzofuran-6-yl] methanesulfonate
Formula:
C18H13BrO7S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 453.3 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 451.95654 g/mol |
| Monoisotopic Mass | 451.95654 g/mol |
| Topological Polar Surface Area | 96.5 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 716 |
| 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 |