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167500-04-1 | 1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethyl-
CAS No: 167500-04-1 Catalog No: AG001XF9 MDL No:
Product Description
Catalog Number:
AG001XF9
Chemical Name:
1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethyl-
CAS Number:
167500-04-1
Molecular Formula:
C20H17I
Molecular Weight:
384.2534
IUPAC Name:
2-iodo-1,3-bis(4-methylphenyl)benzene
InChI:
InChI=1S/C20H17I/c1-14-6-10-16(11-7-14)18-4-3-5-19(20(18)21)17-12-8-15(2)9-13-17/h3-13H,1-2H3
InChI Key:
WJZVPEGNZWPGJE-UHFFFAOYSA-N
SMILES:
Ic1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.037g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.26g/mol
Monoisotopic Mass:
384.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
Literature
| Title | Journal |
|---|---|
| Mechanistic elucidation of the formation of the inverse Ca(I) sandwich complex [(thf)3Ca(mu-C6H3-1,3,5-Ph3)Ca(thf)3] and stability of aryl-substituted phenylcalcium complexes. | Journal of the American Chemical Society 20100908 |
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