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116806-76-9 | 1,1'-Biphenyl, 2,2',3,4',5',6-hexachloro-4-(methylsulfonyl)-
CAS No: 116806-76-9 Catalog No: AG000D8Y MDL No:
Product Description
Catalog Number:
AG000D8Y
Chemical Name:
1,1'-Biphenyl, 2,2',3,4',5',6-hexachloro-4-(methylsulfonyl)-
CAS Number:
116806-76-9
Molecular Formula:
C13H6Cl6O2S
Molecular Weight:
438.9685
IUPAC Name:
1,3,4-trichloro-5-methylsulfonyl-2-(2,4,5-trichlorophenyl)benzene
InChI:
InChI=1S/C13H6Cl6O2S/c1-22(20,21)10-4-9(17)11(13(19)12(10)18)5-2-7(15)8(16)3-6(5)14/h2-4H,1H3
InChI Key:
KGAUWQDQUNCYKK-UHFFFAOYSA-N
SMILES:
Clc1cc(c(c(c1c1cc(Cl)c(cc1Cl)Cl)Cl)Cl)S(=O)(=O)C
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.819g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.949g/mol
Monoisotopic Mass:
435.822g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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