| CAS Number | 65082-45-3 |
| Catalog Number | AG00IBG7(AGN-PC-0JWMGA) |
| Chemical Name | Benzene, 1-bromo-4-[(4-chlorophenyl)sulfonyl]- |
| IUPAC Name | 1-(4-bromophenyl)sulfonyl-4-chlorobenzene |
| InChI | InChI=1S/C12H8BrClO2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H |
| InChI Key | UGMPHUWLSLSAHB-UHFFFAOYSA-N |
| MDL Number | MFCD00622647 |
| Molecular Formula | C12H8BrClO2S |
| Molecular Weight | 331.6127 |
| SMILES | C1=C(C=CC(=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)Br |
| Synonyms | 1-Bromo-4-((4-chlorophenyl)sulfonyl)benzene,
65082-45-3,
1-(4-bromophenyl)sulfonyl-4-chlorobenzene,
AC1LGRM0,
SCHEMBL4591070,
ZINC345433,
MFCD00622647,
AKOS027255525,
MCULE-4855079494,
(4-bromo-phenyl)-(4-chloro-phenyl)-sulfone,
CS-0035616,
1-[(4-bromophenyl)sulfonyl]-4-chlorobenzene,
AE-562/12222079,
Benzene, 1-bromo-4-[(4-chlorophenyl)sulfonyl]-,
CID825812,
ZINC00345433,
|
| 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 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number