| CAS Number | 167404-38-8 |
| Catalog Number | AG00AX0E(AGN-PC-016929) |
| Chemical Name | 4-(2-bromoethoxy)benzene-1-sulfonyl chloride |
| IUPAC Name | 4-(2-bromoethoxy)benzenesulfonyl chloride |
| InChI | InChI=1S/C8H8BrClO3S/c9-5-6-13-7-1-3-8(4-2-7)14(10,11)12/h1-4H,5-6H2 |
| InChI Key | WAEDOYKLSKTBMS-UHFFFAOYSA-N |
| MDL Number | MFCD09741235 |
| Molecular Formula | C8H8BrClO3S |
| Molecular Weight | 299.5693 |
| SMILES | ClS(C1=CC=C(OCCBr)C=C1)(=O)=O |
| Synonyms | 4-(2-bromoethoxy)benzene-1-sulfonyl chloride,
167404-38-8,
4-(2-BROMOETHOXY)BENZENESULFONYL CHLORIDE,
SCHEMBL8323215,
CTK5J0401,
AKOS000151014,
ZINC100473590,
NE19429,
4-(2-Bromo-ethoxy)-benzenesulfonyl chloride,
FT-0739556,
4-(2-BROMOETHOXY)BENZENE-1-SULFONYLCHLORIDE,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.907g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.563g/mol |
| Monoisotopic Mass | 297.907g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number