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92160-61-7 | 1,1'-Biphenyl, 4,4'-diiodo-3,3'-dimethoxy-
CAS No: 92160-61-7 Catalog No: AG01EZA3 MDL No:
Product Description
Catalog Number:
AG01EZA3
Chemical Name:
1,1'-Biphenyl, 4,4'-diiodo-3,3'-dimethoxy-
CAS Number:
92160-61-7
Molecular Formula:
C14H12I2O2
Molecular Weight:
466.0528
IUPAC Name:
1-iodo-4-(4-iodo-3-methoxyphenyl)-2-methoxybenzene
InChI:
InChI=1S/C14H12I2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,1-2H3
InChI Key:
MQULLHPHVTWUNL-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1I)c1ccc(c(c1)OC)I
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.893g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
466.057g/mol
Monoisotopic Mass:
465.893g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| 4,4'-Diiodo-3,3'-dimethoxy-biphen-yl. | Acta crystallographica. Section E, Structure reports online 20080501 |
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