30113-88-3
Product Name:
6,8-Dibromo-7-hydroxy-4-oxo-4H-1-benzopyran-2-carboxylic acid ethyl ester
Formula:
C12H8Br2O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 392.00 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 391.87180 g/mol |
| Monoisotopic Mass | 389.87385 g/mol |
| Topological Polar Surface Area | 72.8 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 422 |
| 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 |