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116807-23-9 | 1,1'-Biphenyl, 2,3,3',4',6-pentachloro-5-(methylsulfonyl)-
CAS No: 116807-23-9 Catalog No: AG000D8W MDL No:
Product Description
Catalog Number:
AG000D8W
Chemical Name:
1,1'-Biphenyl, 2,3,3',4',6-pentachloro-5-(methylsulfonyl)-
CAS Number:
116807-23-9
Molecular Formula:
C13H7Cl5O2S
Molecular Weight:
404.5235
IUPAC Name:
1,2,4-trichloro-3-(3,4-dichlorophenyl)-5-methylsulfonylbenzene
InChI:
InChI=1S/C13H7Cl5O2S/c1-21(19,20)10-5-9(16)12(17)11(13(10)18)6-2-3-7(14)8(15)4-6/h2-5H,1H3
InChI Key:
NKBOVEVCLKFTOC-UHFFFAOYSA-N
SMILES:
Clc1cc(c(c(c1Cl)c1ccc(c(c1)Cl)Cl)Cl)S(=O)(=O)C
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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