5025-62-7
Product Name:
1,3-Benzodioxole-5-carboxylic acid, 6-[(1E)-2-(2-iodo-6-methoxyphenyl)-1-nitroethenyl]-, methyl ester
Formula:
C18H14INO7
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COMPUTED DESCRIPTORS
| Molecular Weight | 483.2 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 482.98150 g/mol |
| Monoisotopic Mass | 482.98150 g/mol |
| Topological Polar Surface Area | 99.8 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 593 |
| 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 |