2116523-08-9
Product Name:
Benzo[b]thiophene-2-carboxylic acid, 6-bromo-3-hydroxy-, ethyl ester
Formula:
C11H9BrO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 301.16 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 299.94558 g/mol |
| Monoisotopic Mass | 299.94558 g/mol |
| Topological Polar Surface Area | 74.8 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 274 |
| 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 |