| CAS Number | 116668-69-0 |
| Catalog Number | AG00IMDK(AGN-PC-03G3GQ) |
| Chemical Name | Dibenzothiophene, 3-bromo-, 5,5-dioxide |
| IUPAC Name | 3-bromodibenzothiophene 5,5-dioxide |
| InChI | InChI=1S/C12H7BrO2S/c13-8-5-6-10-9-3-1-2-4-11(9)16(14,15)12(10)7-8/h1-7H |
| InChI Key | XHRCPNQYOKMDIP-UHFFFAOYSA-N |
| MDL Number | MFCD30742894 |
| Molecular Formula | C12H7BrO2S |
| Molecular Weight | 295.1518 |
| SMILES | BrC=1C=CC2=C(S(C3=C2C=CC=C3)(=O)=O)C1 |
| Synonyms | 3-bromodibenzothiophene S,S-dioxide,
3-Bromodibenzosulfolane,
3-Bromodibenzothiophene Sulfone,
SCHEMBL1454928,
3-Bromodibenzothiophene 5,5-Dioxide,
116668-69-0,
B5268,
|
| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.15g/mol |
| Monoisotopic Mass | 293.935g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number