| CAS Number | 1251922-52-7 |
| Catalog Number | AG01AA6J |
| Chemical Name | 5-bromo-2,4-dimethoxybenzene-1,3-disulfonyl dichloride |
| IUPAC Name | 5-bromo-2,4-dimethoxybenzene-1,3-disulfonyl chloride |
| InChI | InChI=1S/C8H7BrCl2O6S2/c1-16-6-4(9)3-5(18(10,12)13)7(17-2)8(6)19(11,14)15/h3H,1-2H3 |
| InChI Key | QCDPKOVPRRSBMX-UHFFFAOYSA-N |
| MDL Number | MFCD16990646 |
| Molecular Formula | C8H7BrCl2O6S2 |
| Molecular Weight | 414.0776 |
| SMILES | COC1=C(S(Cl)(=O)=O)C(OC)=C(S(Cl)(=O)=O)C=C1Br |
| Synonyms | 5-bromo-2,4-dimethoxybenzene-1,3-disulfonyl dichloride,
1251922-52-7,
AC1Q44NQ,
ZINC100618261,
NE16148,
EN300-67200,
|
| Complexity | 510 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 411.824g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 414.062g/mol |
| Monoisotopic Mass | 411.824g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number