863763-39-7
Product Name:
Benzenebutanoic acid, 4-iodo-γ-oxo-, (4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl ester
Formula:
C18H14IN3O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 463.2 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 463.00290 g/mol |
| Monoisotopic Mass | 463.00290 g/mol |
| Topological Polar Surface Area | 88.4 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 575 |
| 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 |