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130689-92-8 | [1,1'-Biphenyl]-4-ol, 3,3',4',5,5'-pentachloro-
CAS No: 130689-92-8 Catalog No: AG000UTC MDL No:
Product Description
Catalog Number:
AG000UTC
Chemical Name:
[1,1'-Biphenyl]-4-ol, 3,3',4',5,5'-pentachloro-
CAS Number:
130689-92-8
Molecular Formula:
C12H5Cl5O
Molecular Weight:
342.4325
IUPAC Name:
2,6-dichloro-4-(3,4,5-trichlorophenyl)phenol
InChI:
InChI=1S/C12H5Cl5O/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,18H
InChI Key:
FZCCRONMPSHDPF-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1O)Cl)c1cc(Cl)c(c(c1)Cl)Cl
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.875g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.421g/mol
Monoisotopic Mass:
339.878g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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