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823191-67-9 | 1,1'-Biphenyl, 6,6'-diiodo-3,3'-dimethoxy-2,2',4,4'-tetramethyl-
CAS No: 823191-67-9 Catalog No: AG005525 MDL No:
Product Description
Catalog Number:
AG005525
Chemical Name:
1,1'-Biphenyl, 6,6'-diiodo-3,3'-dimethoxy-2,2',4,4'-tetramethyl-
CAS Number:
823191-67-9
Molecular Formula:
C18H20I2O2
Molecular Weight:
522.1591
IUPAC Name:
1-iodo-2-(6-iodo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylbenzene
InChI:
InChI=1S/C18H20I2O2/c1-9-7-13(19)15(11(3)17(9)21-5)16-12(4)18(22-6)10(2)8-14(16)20/h7-8H,1-6H3
InChI Key:
WEMSFJPTNIVFPM-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(c(c1C)c1c(I)cc(c(c1C)OC)C)I
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
521.955g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
522.165g/mol
Monoisotopic Mass:
521.955g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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