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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=CC=C1N2C(=C(SC2=S)C3=C4C=C(C=CC4=NC3=O)Br)O)O |
|---|---|
| IUPAC Name | 5-bromo-3-[4-hydroxy-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one |
| InChIKey | LUDQLMIRZJWVEU-UHFFFAOYSA-N |
| INCHI | 1S/C17H9BrN2O3S2/c18-8-1-6-12-11(7-8)13(15(22)19-12)14-16(23)20(17(24)25-14)9-2-4-10(21)5-3-9/h1-7,21,23H |
| Molecular Weight | 433.3 |
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View spec sheet →| Molecular Weight | 433.300 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 431.924 Da |
| Monoisotopic Mass | 431.924 Da |
| Topological Polar Surface Area | 131.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 833.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |