| CAS Number | 139036-97-8 |
| Catalog Number | AG01A0DH(AGN-PC-02CGWS) |
| Chemical Name | 7-bromo-1,2-benzothiazole |
| IUPAC Name | 7-bromo-1,2-benzothiazole |
| InChI | InChI=1S/C7H4BrNS/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H |
| InChI Key | LARBSDOBTWXILM-UHFFFAOYSA-N |
| MDL Number | MFCD22038345 |
| Molecular Formula | C7H4BrNS |
| Molecular Weight | 214.0824 |
| SMILES | BrC1=CC=CC=2C=NSC21 |
| Synonyms | 7-Bromobenzo[d]isothiazole,
4-Fluorobenzo[d]isothiazole,
139036-97-8,
7-bromo-1,2-benzothiazole,
1,2-Benzisothiazole, 7-bromo-,
SCHEMBL658073,
LARBSDOBTWXILM-UHFFFAOYSA-N,
ZINC82371267,
N/A,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.08g/mol |
| Monoisotopic Mass | 212.925g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number