| CAS Number | 61405-25-2 |
| Catalog Number | AG00EDPC(AGN-PC-0NI8FC) |
| Chemical Name | 4-(4-Bromophenoxy)benzene-1-sulfonyl chloride |
| IUPAC Name | 4-(4-bromophenoxy)benzenesulfonyl chloride |
| InChI | InChI=1S/C12H8BrClO3S/c13-9-1-3-10(4-2-9)17-11-5-7-12(8-6-11)18(14,15)16/h1-8H |
| InChI Key | PLFIHRLMNDKZGJ-UHFFFAOYSA-N |
| MDL Number | MFCD09815768 |
| Molecular Formula | C12H8BrClO3S |
| Molecular Weight | 347.6121 |
| SMILES | ClS(C1=CC=C(OC2=CC=C(Br)C=C2)C=C1)(=O)=O |
| Synonyms | 61405-25-2,
4-(4-BROMO-PHENOXY)-BENZENESULFONYL CHLORIDE,
4-(4-bromophenoxy)benzene-1-sulfonyl chloride,
4-(4-bromophenoxy)benzenesulfonyl chloride,
SCHEMBL1133721,
CTK5B3190,
KS-00001PCO,
DTXSID00482362,
PLFIHRLMNDKZGJ-UHFFFAOYSA-N,
MFCD09815768,
AKOS000164499,
ZINC100262778,
GL-1069,
MCULE-8818313448,
4-(4-bromophenoxy)phenylsulfonyl chloride,
4-(4-bromophenoxy)benzene sulfonyl chloride,
4-(4-Bromo-phenoxy)-benzenesulphonyl chloride,
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| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.907g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.607g/mol |
| Monoisotopic Mass | 345.907g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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