| CAS Number | 13610-11-2 |
| Catalog Number | AG009BHG(AGN-PC-0KKLBU) |
| Chemical Name | 4'-Bromobiphenyl-4-sulfonyl chloride |
| IUPAC Name | 4-(4-bromophenyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C12H8BrClO2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H |
| InChI Key | SSBVDUAYXSMLTR-UHFFFAOYSA-N |
| MDL Number | MFCD03424841 |
| Molecular Formula | C12H8BrClO2S |
| Molecular Weight | 331.6127 |
| SMILES | O=S(C1=CC=C(C2=CC=C(Br)C=C2)C=C1)(Cl)=O |
| Synonyms | 4'-Bromobiphenyl-4-sulfonyl chloride,
13610-11-2,
4-(4-bromophenyl)benzene-1-sulfonyl chloride,
4'-bromo-biphenyl-4-sulfonyl chloride,
4'-Bromo-[1,1'-biphenyl]-4-sulfonyl chloride,
AC1MBUHY,
4-(4-bromophenyl)benzenesulfonyl Chloride,
[1,1'-Biphenyl]-4-sulfonyl chloride, 4'-bromo-,
SCHEMBL1455825,
CTK5I7239,
DTXSID60373585,
SSBVDUAYXSMLTR-UHFFFAOYSA-N,
ZINC95698360,
NE20131,
4'-bromo-4-biphenylylsulphonyl chloride,
Not Available,
4/'-Bromobiphenyl-4-sulfonyl chloride,
CID2756845,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.912g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.608g/mol |
| Monoisotopic Mass | 329.912g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number