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86674-67-1 | 2,5-dichloro-4-(2,5-dichlorophenyl)benzenethiol
CAS No: 86674-67-1 Catalog No: AG004TD1 MDL No:
Product Description
Catalog Number:
AG004TD1
Chemical Name:
2,5-dichloro-4-(2,5-dichlorophenyl)benzenethiol
CAS Number:
86674-67-1
Molecular Formula:
C12H6Cl4S
Molecular Weight:
324.0530
IUPAC Name:
2,5-dichloro-4-(2,5-dichlorophenyl)benzenethiol
InChI:
InChI=1S/C12H6Cl4S/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5,17H
InChI Key:
UKPUHROYBNINGY-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)c1cc(Cl)c(cc1Cl)S)Cl
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.891g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.04g/mol
Monoisotopic Mass:
321.894g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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