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88700-22-5 | Benzene, 1,1'-sulfonylbis[4-(2,4,6-trichlorophenoxy)-
CAS No: 88700-22-5 Catalog No: AG0046EF MDL No:
Product Description
Catalog Number:
AG0046EF
Chemical Name:
Benzene, 1,1'-sulfonylbis[4-(2,4,6-trichlorophenoxy)-
CAS Number:
88700-22-5
Molecular Formula:
C24H12Cl6O4S
Molecular Weight:
609.1327
IUPAC Name:
1,3,5-trichloro-2-[4-[4-(2,4,6-trichlorophenoxy)phenyl]sulfonylphenoxy]benzene
InChI:
InChI=1S/C24H12Cl6O4S/c25-13-9-19(27)23(20(28)10-13)33-15-1-5-17(6-2-15)35(31,32)18-7-3-16(4-8-18)34-24-21(29)11-14(26)12-22(24)30/h1-12H
InChI Key:
PJMQDEIBHOAZMV-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)cc(c1Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl)Cl
Properties
Complexity:
699
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
607.856g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
609.116g/mol
Monoisotopic Mass:
605.859g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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