| CAS Number | 1909327-27-0 |
| Catalog Number | AG01C524 |
| Chemical Name | 5-chloro-4-(3-nitrophenyl)-1,2,3-thiadiazole |
| IUPAC Name | 5-chloro-4-(3-nitrophenyl)thiadiazole |
| InChI | InChI=1S/C8H4ClN3O2S/c9-8-7(10-11-15-8)5-2-1-3-6(4-5)12(13)14/h1-4H |
| InChI Key | RAXOVYVBHMOHJK-UHFFFAOYSA-N |
| MDL Number | MFCD29907049 |
| Molecular Formula | C8H4ClN3O2S |
| Molecular Weight | 241.6543 |
| SMILES | [O-][N+](C1=CC(C2=C(Cl)SN=N2)=CC=C1)=O |
| Synonyms | 5-chloro-4-(3-nitrophenyl)-1,2,3-thiadiazole,
1909327-27-0,
ZINC334163866,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.649g/mol |
| Monoisotopic Mass | 240.971g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 99.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number