| CAS Number | 31860-01-2 |
| Catalog Number | AG01DZ9V(AGN-PC-02RUXT) |
| Chemical Name | 5-Bromo-1,2,3-benzothiadiazole |
| IUPAC Name | 5-bromo-1,2,3-benzothiadiazole |
| InChI | InChI=1S/C6H3BrN2S/c7-4-1-2-6-5(3-4)8-9-10-6/h1-3H |
| InChI Key | SYDNXOHIHAFFBS-UHFFFAOYSA-N |
| MDL Number | MFCD31666447 |
| Molecular Formula | C6H3BrN2S |
| Molecular Weight | 215.0704 |
| SMILES | BrC1=CC2=C(SN=N2)C=C1 |
| Synonyms | 5-bromo-1,2,3-benzothiadiazole,
31860-01-2,
AKOS023564042,
|
| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.068g/mol |
| Monoisotopic Mass | 213.92g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number