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99970-74-8 | 3-5-diiodo-biphenyl-4-ol
CAS No: 99970-74-8 Catalog No: AG00VRSH MDL No:
Product Description
Catalog Number:
AG00VRSH
Chemical Name:
3-5-diiodo-biphenyl-4-ol
CAS Number:
99970-74-8
Molecular Formula:
C12H8I2O
Molecular Weight:
422.0003
IUPAC Name:
2,6-diiodo-4-phenylphenol
InChI:
InChI=1S/C12H8I2O/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h1-7,15H
InChI Key:
PVAYATOGDIVVMJ-UHFFFAOYSA-N
SMILES:
Ic1cc(cc(c1O)I)c1ccccc1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.866g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.004g/mol
Monoisotopic Mass:
421.866g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Novel triiodophenol derivatives induce caspase-independent mitochondrial cell death in leukemia cells inhibited by Myc. | Molecular cancer therapeutics 20060501 |
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