HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-(4-bromophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
Identifiers & Physical Properties
| Molecular formula | C13H9BrN2O2S |
|---|---|
| Average molar mass | 337.19 g/mol |
| Monoisotopic mass | 335.95681 g/mol |
| SMILES | O=S1(=O)N=C(Nc2ccc(Br)cc2)c2ccccc21 |
| InChIKey | NOGXHIOUFAXJJB-UHFFFAOYSA-N |
| PubChem CID | 716632 |
| ChEMBL | CHEMBL4870083 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 66.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 464 |