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823191-71-5 | [1,1'-Biphenyl]-3,3'-diol, 6,6'-diiodo-2,2',4,4'-tetramethyl-
CAS No: 823191-71-5 Catalog No: AG005524 MDL No:
Product Description
Catalog Number:
AG005524
Chemical Name:
[1,1'-Biphenyl]-3,3'-diol, 6,6'-diiodo-2,2',4,4'-tetramethyl-
CAS Number:
823191-71-5
Molecular Formula:
C16H16I2O2
Molecular Weight:
494.1060
IUPAC Name:
3-(3-hydroxy-6-iodo-2,4-dimethylphenyl)-4-iodo-2,6-dimethylphenol
InChI:
InChI=1S/C16H16I2O2/c1-7-5-11(17)13(9(3)15(7)19)14-10(4)16(20)8(2)6-12(14)18/h5-6,19-20H,1-4H3
InChI Key:
KCUFVJBPIYWZFB-UHFFFAOYSA-N
SMILES:
Ic1cc(C)c(c(c1c1c(I)cc(c(c1C)O)C)C)O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.924g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
494.111g/mol
Monoisotopic Mass:
493.924g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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