| CAS Number | 98546-13-5 |
| Catalog Number | AG00J2CX(AGN-PC-0WB5TS) |
| Chemical Name | 4-Chloro-2,5-dimethoxybenzene-1-sulfonyl chloride |
| IUPAC Name | 4-chloro-2,5-dimethoxybenzenesulfonyl chloride |
| InChI | InChI=1S/C8H8Cl2O4S/c1-13-6-4-8(15(10,11)12)7(14-2)3-5(6)9/h3-4H,1-2H3 |
| InChI Key | KTSIEOKJPDDBPC-UHFFFAOYSA-N |
| MDL Number | MFCD09859306 |
| Molecular Formula | C8H8Cl2O4S |
| Molecular Weight | 271.1177 |
| SMILES | S(Cl)(=O)(=O)C1=C(OC)C=C(C(OC)=C1)Cl |
| Synonyms | 98546-13-5,
4-CHLORO-2,5-DIMETHOXYBENZENESULFONYL CHLORIDE,
4-Chloro-2,5-dimethoxybenzene-1-sulfonyl chloride,
SCHEMBL7652684,
DTXSID30593319,
MFCD14702891,
SBB081972,
AKOS005139216,
ZINC100153091,
chloro(4-chloro-2,5-dimethoxyphenyl)sulfone,
4-chloro-2,5-dimethoxyphenylsulfonyl chloride,
Y-7528,
4-Chloro-2,5-dimethoxybenzenesulfonyl chloride, AldrichCPR,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.952g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.108g/mol |
| Monoisotopic Mass | 269.952g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number