| CAS Number | 2001951-51-3 |
| Catalog Number | AG01DW53 |
| Chemical Name | 4-(4-bromophenoxy)-1lambda6-thiane-1,1-dione |
| IUPAC Name | 4-(4-bromophenoxy)thiane 1,1-dioxide |
| InChI | InChI=1S/C11H13BrO3S/c12-9-1-3-10(4-2-9)15-11-5-7-16(13,14)8-6-11/h1-4,11H,5-8H2 |
| InChI Key | PAAFHJDGXKZVNT-UHFFFAOYSA-N |
| MDL Number | MFCD31615858 |
| Molecular Formula | C11H13BrO3S |
| Molecular Weight | 305.1881 |
| SMILES | BrC1=CC=C(OC2CCS(=O)(=O)CC2)C=C1 |
| Synonyms | 4-(4-bromophenoxy)-1lambda6-thiane-1,1-dione,
2001951-51-3,
SCHEMBL20335398,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.186g/mol |
| Monoisotopic Mass | 303.977g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number