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128742-33-6 | 1,1'-Biphenyl, 3,3',4,4',5-pentachloro-5'-(methylsulfonyl)-
CAS No: 128742-33-6 Catalog No: AG000YDA MDL No:
Product Description
Catalog Number:
AG000YDA
Chemical Name:
1,1'-Biphenyl, 3,3',4,4',5-pentachloro-5'-(methylsulfonyl)-
CAS Number:
128742-33-6
Molecular Formula:
C13H7Cl5O2S
Molecular Weight:
404.5235
IUPAC Name:
1,2-dichloro-3-methylsulfonyl-5-(3,4,5-trichlorophenyl)benzene
InChI:
InChI=1S/C13H7Cl5O2S/c1-21(19,20)11-5-7(4-10(16)13(11)18)6-2-8(14)12(17)9(15)3-6/h2-5H,1H3
InChI Key:
WIUXFVIEYQIXJN-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1Cl)Cl)c1cc(Cl)c(c(c1)S(=O)(=O)C)Cl
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.858g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.507g/mol
Monoisotopic Mass:
401.861g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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