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89160-39-4 | 1,1'-Biphenyl, 2,4',5-trichloro-3'-(methylsulfinyl)-
CAS No: 89160-39-4 Catalog No: AG003WOF MDL No:
Product Description
Catalog Number:
AG003WOF
Chemical Name:
1,1'-Biphenyl, 2,4',5-trichloro-3'-(methylsulfinyl)-
CAS Number:
89160-39-4
Molecular Formula:
C13H9Cl3OS
Molecular Weight:
319.6340
IUPAC Name:
1-chloro-4-(2,5-dichlorophenyl)-2-methylsulfinylbenzene
InChI:
InChI=1S/C13H9Cl3OS/c1-18(17)13-6-8(2-4-12(13)16)10-7-9(14)3-5-11(10)15/h2-7H,1H3
InChI Key:
QANLYEQBHQXMEG-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)c1ccc(c(c1)S(=O)C)Cl)Cl
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.944g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.624g/mol
Monoisotopic Mass:
317.944g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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