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116807-34-2 | 1,1'-Biphenyl, 2,2',3,4',5'-pentachloro-4-(methylsulfonyl)-
CAS No: 116807-34-2 Catalog No: AG000D8V MDL No:
Product Description
Catalog Number:
AG000D8V
Chemical Name:
1,1'-Biphenyl, 2,2',3,4',5'-pentachloro-4-(methylsulfonyl)-
CAS Number:
116807-34-2
Molecular Formula:
C13H7Cl5O2S
Molecular Weight:
404.5235
IUPAC Name:
2,3-dichloro-1-methylsulfonyl-4-(2,4,5-trichlorophenyl)benzene
InChI:
InChI=1S/C13H7Cl5O2S/c1-21(19,20)11-3-2-6(12(17)13(11)18)7-4-9(15)10(16)5-8(7)14/h2-5H,1H3
InChI Key:
QOFGYRKKYAQMLD-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(cc1c1ccc(c(c1Cl)Cl)S(=O)(=O)C)Cl
Properties
Complexity:
466
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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