| CAS Number | 1342880-63-0 |
| Catalog Number | AG01B175(AGN-PC-0WO7L0) |
| Chemical Name | 2-(5-Bromo-2-fluorophenyl)-5-chloro-1,3,4-thiadiazole |
| IUPAC Name | 2-(5-bromo-2-fluorophenyl)-5-chloro-1,3,4-thiadiazole |
| InChI | InChI=1S/C8H3BrClFN2S/c9-4-1-2-6(11)5(3-4)7-12-13-8(10)14-7/h1-3H |
| InChI Key | WQRYBAOTGQCDRF-UHFFFAOYSA-N |
| MDL Number | MFCD18344714 |
| Molecular Formula | C8H3BrClFN2S |
| Molecular Weight | 293.5432 |
| SMILES | FC1=C(C2SC(Cl)=NN=2)C=C(Br)C=C1 |
| Synonyms | 2-(5-bromo-2-fluorophenyl)-5-chloro-1,3,4-thiadiazole,
1342880-63-0,
ZINC71050242,
AKOS012692598,
NE28867,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.887g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.538g/mol |
| Monoisotopic Mass | 291.887g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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