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2643-38-1 | Benzene, 1,1'-[sulfonylbis(1-bromo-2,1-ethanediyl)]bis- (9CI)
CAS No: 2643-38-1 Catalog No: AG002T70 MDL No:
Product Description
Catalog Number:
AG002T70
Chemical Name:
Benzene, 1,1'-[sulfonylbis(1-bromo-2,1-ethanediyl)]bis- (9CI)
CAS Number:
2643-38-1
Molecular Formula:
C16H16Br2O2S
Molecular Weight:
432.1700
IUPAC Name:
[1-bromo-2-(2-bromo-2-phenylethyl)sulfonylethyl]benzene
InChI:
InChI=1S/C16H16Br2O2S/c17-15(13-7-3-1-4-8-13)11-21(19,20)12-16(18)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChI Key:
DGFZIVSUZAVFBF-UHFFFAOYSA-N
SMILES:
BrC(c1ccccc1)CS(=O)(=O)CC(c1ccccc1)Br
NSC Number:
91055
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.922g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.17g/mol
Monoisotopic Mass:
429.924g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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