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128742-34-7 | 1,1'-Biphenyl, 2,2',3,3',4,4',5-heptachloro-5'-(methylsulfonyl)-
CAS No: 128742-34-7 Catalog No: AG000YD9 MDL No:
Product Description
Catalog Number:
AG000YD9
Chemical Name:
1,1'-Biphenyl, 2,2',3,3',4,4',5-heptachloro-5'-(methylsulfonyl)-
CAS Number:
128742-34-7
Molecular Formula:
C13H5Cl7O2S
Molecular Weight:
473.4136
IUPAC Name:
2,3,4-trichloro-1-methylsulfonyl-5-(2,3,4,5-tetrachlorophenyl)benzene
InChI:
InChI=1S/C13H5Cl7O2S/c1-23(21,22)7-3-5(9(16)13(20)11(7)18)4-2-6(14)10(17)12(19)8(4)15/h2-3H,1H3
InChI Key:
GMGBFYAQMSATFM-UHFFFAOYSA-N
SMILES:
Clc1c(Cl)cc(c(c1Cl)Cl)c1cc(c(c(c1Cl)Cl)Cl)S(=O)(=O)C
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
471.78g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
473.391g/mol
Monoisotopic Mass:
469.783g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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