| CAS Number | 1246776-82-8 |
| Catalog Number | AG019RIA |
| Chemical Name | 4-Bromo-2,5-dimethoxybenzene-1-sulfonyl chloride |
| IUPAC Name | 4-bromo-2,5-dimethoxybenzenesulfonyl chloride |
| InChI | InChI=1S/C8H8BrClO4S/c1-13-6-4-8(15(10,11)12)7(14-2)3-5(6)9/h3-4H,1-2H3 |
| InChI Key | SECOFIXVDWSDJB-UHFFFAOYSA-N |
| MDL Number | MFCD17480532 |
| Molecular Formula | C8H8BrClO4S |
| Molecular Weight | 315.5687 |
| SMILES | COC1=C(Br)C=C(OC)C(S(Cl)(=O)=O)=C1 |
| Synonyms | 4-bromo-2,5-dimethoxybenzene-1-sulfonyl chloride,
1246776-82-8,
AC1Q4849,
SBB082163,
AKOS005139315,
ZINC100646567,
NE24227,
(4-bromo-2,5-dimethoxyphenyl)chlorosulfone,
EN300-89771,
148459-04-5,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.902g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.562g/mol |
| Monoisotopic Mass | 313.902g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number