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144970-30-9 | Tricyclo[3.3.1.13,7]decane, 1,3,5,7-tetrakis(4-iodophenyl)-
CAS No: 144970-30-9 Catalog No: AG001KEO MDL No:
Product Description
Catalog Number:
AG001KEO
Chemical Name:
Tricyclo[3.3.1.13,7]decane, 1,3,5,7-tetrakis(4-iodophenyl)-
CAS Number:
144970-30-9
Molecular Formula:
C34H28I4
Molecular Weight:
944.2040
IUPAC Name:
1,3,5,7-tetrakis(4-iodophenyl)adamantane
InChI:
InChI=1S/C34H28I4/c35-27-9-1-23(2-10-27)31-17-32(24-3-11-28(36)12-4-24)20-33(18-31,25-5-13-29(37)14-6-25)22-34(19-31,21-32)26-7-15-30(38)16-8-26/h1-16H,17-22H2
InChI Key:
HTGPRXPCTBXRBH-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)C12CC3(CC(C2)(CC(C1)(C3)c1ccc(cc1)I)c1ccc(cc1)I)c1ccc(cc1)I
Properties
Complexity:
647
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
943.837g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
944.216g/mol
Monoisotopic Mass:
943.837g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.4
Literature
| Title | Journal |
|---|---|
| 1,3,5,7-Tetra-kis(4-iodo-phen-yl)adamantane benzene tetra-solvate. | Acta crystallographica. Section E, Structure reports online 20100701 |
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