| CAS Number | 312608-20-1 |
| Catalog Number | AG007I2A(AGN-PC-0WB49O) |
| Chemical Name | (E)-5-(2-Chloro-5-nitrobenzylidene)thiazolidine-2,4-dione |
| IUPAC Name | 5-[(2-chloro-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| InChI | InChI=1S/C10H5ClN2O4S/c11-7-2-1-6(13(16)17)3-5(7)4-8-9(14)12-10(15)18-8/h1-4H,(H,12,14,15) |
| InChI Key | LQVOJINPZQQOCH-UHFFFAOYSA-N |
| MDL Number | MFCD00763673 |
| Molecular Formula | C10H5ClN2O4S |
| Molecular Weight | 284.6757 |
| SMILES | N1C(=O)/C(/SC1=O)=CC1C(Cl)=CC=C(C=1)[N+](=O)[O-] |
| Synonyms | 312608-20-1,
(E)-5-(2-Chloro-5-nitrobenzylidene)thiazolidine-2,4-dione,
(5E)-5-(2-chloro-5-nitrobenzylidene)-1,3-thiazolidine-2,4-dione,
AC1ME6BR,
CBMicro_022511,
CTK4G6670,
DTXSID10385951,
5-[(2-chloro-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione,
AKOS030253961,
MCULE-5814849288,
ZINC01207368,
CID2849304,
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| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.67g/mol |
| Monoisotopic Mass | 283.966g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number