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149111-99-9 | [1,1'-Biphenyl]-4-ol, 2,2',4',6,6'-pentachloro-
CAS No: 149111-99-9 Catalog No: AG001LET MDL No:
Product Description
Catalog Number:
AG001LET
Chemical Name:
[1,1'-Biphenyl]-4-ol, 2,2',4',6,6'-pentachloro-
CAS Number:
149111-99-9
Molecular Formula:
C12H5Cl5O
Molecular Weight:
342.4325
IUPAC Name:
3,5-dichloro-4-(2,4,6-trichlorophenyl)phenol
InChI:
InChI=1S/C12H5Cl5O/c13-5-1-7(14)11(8(15)2-5)12-9(16)3-6(18)4-10(12)17/h1-4,18H
InChI Key:
RZLUZWTWKRJNJR-UHFFFAOYSA-N
SMILES:
Oc1cc(Cl)c(c(c1)Cl)c1c(Cl)cc(cc1Cl)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:
6.3
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