| CAS Number | 88541-07-5 |
| Catalog Number | AG008BUD(AGN-PC-02OFXR) |
| Chemical Name | 5-Chloro-3-(4-nitrophenyl)-1,2,4-thiadiazole |
| IUPAC Name | 5-chloro-3-(4-nitrophenyl)-1,2,4-thiadiazole |
| InChI | InChI=1S/C8H4ClN3O2S/c9-8-10-7(11-15-8)5-1-3-6(4-2-5)12(13)14/h1-4H |
| InChI Key | GULLVHSUPXBMAI-UHFFFAOYSA-N |
| MDL Number | MFCD14707346 |
| Molecular Formula | C8H4ClN3O2S |
| Molecular Weight | 241.6543 |
| SMILES | [O-][N+](C1=CC=C(C2N=C(Cl)SN=2)C=C1)=O |
| Synonyms | 88541-07-5,
5-Chloro-3-(4-nitrophenyl)-1,2,4-thiadiazole,
1,2,4-Thiadiazole, 5-chloro-3-(4-nitrophenyl)-,
ACMC-20lb2p,
SCHEMBL10749315,
CTK3A9984,
KS-00001KTA,
DTXSID30603684,
GULLVHSUPXBMAI-UHFFFAOYSA-N,
MFCD14707346,
ZINC47218923,
AKOS014601677,
5-Chloro-3-(4-nitro-phenyl)-1,2,4-thiadiazole,
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| Complexity | 243 |
| 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 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number