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116807-53-5 | 1,1'-Biphenyl, 2,3',4',5-tetrachloro-3-(methylsulfonyl)-
CAS No: 116807-53-5 Catalog No: AG000D8S MDL No:
Product Description
Catalog Number:
AG000D8S
Chemical Name:
1,1'-Biphenyl, 2,3',4',5-tetrachloro-3-(methylsulfonyl)-
CAS Number:
116807-53-5
Molecular Formula:
C13H8Cl4O2S
Molecular Weight:
370.0784
IUPAC Name:
2,5-dichloro-1-(3,4-dichlorophenyl)-3-methylsulfonylbenzene
InChI:
InChI=1S/C13H8Cl4O2S/c1-20(18,19)12-6-8(14)5-9(13(12)17)7-2-3-10(15)11(16)4-7/h2-6H,1H3
InChI Key:
OASFWKBBFHJGDH-UHFFFAOYSA-N
SMILES:
Clc1cc(c2ccc(c(c2)Cl)Cl)c(c(c1)S(=O)(=O)C)Cl
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.897g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.065g/mol
Monoisotopic Mass:
367.9g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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