| CAS Number | 58215-62-6 |
| Catalog Number | AG00EC4W(AGN-PC-0WB4PL) |
| Chemical Name | (E)-5-(3-Bromo-4-hydroxy-5-methoxybenzylidene)thiazolidine-2,4-dione |
| IUPAC Name | 5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| InChI | InChI=1S/C11H8BrNO4S/c1-17-7-3-5(2-6(12)9(7)14)4-8-10(15)13-11(16)18-8/h2-4,14H,1H3,(H,13,15,16) |
| InChI Key | USTNBZBSUSGXFL-UHFFFAOYSA-N |
| MDL Number | MFCD02108942 |
| Molecular Formula | C11H8BrNO4S |
| Molecular Weight | 330.1545 |
| SMILES | N1C(=O)/C(/SC1=O)=CC1=CC(OC)=C(C(Br)=C1)O |
| Synonyms | 58215-62-6,
(5E)-5-(3-BROMO-4-HYDROXY-5-METHOXYBENZYLIDENE)-1,3-THIAZOLIDINE-2,4-DIONE,
CHEMBRDG-BB 6954052,
AC1MFK7Y,
CTK5A8017,
DTXSID20387820,
AKOS030253942,
MCULE-7660567382,
5-(3-bromo-4-hydroxy-5-methoxybenzylidene)thiazolidine-2,4-dione,
(E)-5-(3-Bromo-4-hydroxy-5-methoxybenzylidene)thiazolidine-2,4-dione,
5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione,
ZINC01156727,
CID2920527,
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| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.152g/mol |
| Monoisotopic Mass | 328.936g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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