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86374-32-5 | [1,1'-Biphenyl]-ar,ar'-diol, ar,ar,ar',ar'-tetrachloro-(9CI)
CAS No: 86374-32-5 Catalog No: AG004LYP MDL No:
Product Description
Catalog Number:
AG004LYP
Chemical Name:
[1,1'-Biphenyl]-ar,ar'-diol, ar,ar,ar',ar'-tetrachloro-(9CI)
CAS Number:
86374-32-5
Molecular Formula:
C12H6Cl4O2
Molecular Weight:
323.9868
IUPAC Name:
3-(2,3,4,5-tetrachlorophenyl)benzene-1,2-diol
InChI:
InChI=1S/C12H6Cl4O2/c13-7-4-6(9(14)11(16)10(7)15)5-2-1-3-8(17)12(5)18/h1-4,17-18H
InChI Key:
NVBFDAHKJGHGDG-UHFFFAOYSA-N
SMILES:
Oc1c(O)cccc1c1cc(Cl)c(c(c1Cl)Cl)Cl
Properties
Complexity:
291
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:
5.4
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