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14039-87-3 | Disulfone, bis(4-bromophenyl) (9CI)
CAS No: 14039-87-3 Catalog No: AG001CCE MDL No:
Product Description
Catalog Number:
AG001CCE
Chemical Name:
Disulfone, bis(4-bromophenyl) (9CI)
CAS Number:
14039-87-3
Molecular Formula:
C12H8Br2O4S2
Molecular Weight:
440.1275
IUPAC Name:
1-bromo-4-(4-bromophenyl)sulfonylsulfonylbenzene
InChI:
InChI=1S/C12H8Br2O4S2/c13-9-1-5-11(6-2-9)19(15,16)20(17,18)12-7-3-10(14)4-8-12/h1-8H
InChI Key:
AWNSMFQJCPUPBB-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)S(=O)(=O)S(=O)(=O)c1ccc(cc1)Br
NSC Number:
306703
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.821g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.12g/mol
Monoisotopic Mass:
437.823g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Evaluation of selected chemotypes in coupled cellular and molecular target-based screens identifies novel HIV-1 zinc finger inhibitors. | Journal of medicinal chemistry 19960913 |
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