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86694-96-4 | 2,2',5,5'-TETRACHLORO-(1,1'-BIPHENYL)-3,3'-DIOL
CAS No: 86694-96-4 Catalog No: AG004KJN MDL No:
Product Description
Catalog Number:
AG004KJN
Chemical Name:
2,2',5,5'-TETRACHLORO-(1,1'-BIPHENYL)-3,3'-DIOL
CAS Number:
86694-96-4
Molecular Formula:
C12H6Cl4O2
Molecular Weight:
323.9868
IUPAC Name:
2,5-dichloro-3-(2,5-dichloro-3-hydroxyphenyl)phenol
InChI:
InChI=1S/C12H6Cl4O2/c13-5-1-7(11(15)9(17)3-5)8-2-6(14)4-10(18)12(8)16/h1-4,17-18H
InChI Key:
YZTZVBQGGAKIEO-UHFFFAOYSA-N
SMILES:
Clc1cc(O)c(c(c1)c1cc(Cl)cc(c1Cl)O)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:
323.909g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.978g/mol
Monoisotopic Mass:
321.912g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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