| CAS Number | 313530-35-7 |
| Catalog Number | AG00CQV2(AGN-PC-0WB4BU) |
| Chemical Name | (E)-5-(5-Bromo-3-ethoxy-2-hydroxybenzylidene)thiazolidine-2,4-dione |
| IUPAC Name | 5-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| InChI | InChI=1S/C12H10BrNO4S/c1-2-18-8-5-7(13)3-6(10(8)15)4-9-11(16)14-12(17)19-9/h3-5,15H,2H2,1H3,(H,14,16,17) |
| InChI Key | POQSLJJYFGNMIW-UHFFFAOYSA-N |
| MDL Number | MFCD01102426 |
| Molecular Formula | C12H10BrNO4S |
| Molecular Weight | 344.1811 |
| SMILES | N1C(=O)/C(/SC1=O)=CC1=CC(Br)=CC(OCC)=C1O |
| Synonyms | 313530-35-7,
(5E)-5-(5-BROMO-3-ETHOXY-2-HYDROXYBENZYLIDENE)-1,3-THIAZOLIDINE-2,4-DIONE,
(E)-5-(5-Bromo-3-ethoxy-2-hydroxybenzylidene)thiazolidine-2,4-dione,
AC1MEUCK,
CTK4G6921,
DTXSID20386373,
CHEMBRDG-BB 5678220,
AKOS030253894,
MCULE-2927137595,
5-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione,
ZINC00974039,
CID2861245,
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| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.179g/mol |
| Monoisotopic Mass | 342.951g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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