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134080-67-4 | Benzene, 1,1',1'',1'''-methanetetrayltetrakis[4-iodo-
CAS No: 134080-67-4 Catalog No: AG007MKJ MDL No:
Product Description
Catalog Number:
AG007MKJ
Chemical Name:
Benzene, 1,1',1'',1'''-methanetetrayltetrakis[4-iodo-
CAS Number:
134080-67-4
Molecular Formula:
C25H16I4
Molecular Weight:
824.0124
IUPAC Name:
1-iodo-4-[tris(4-iodophenyl)methyl]benzene
InChI:
InChI=1S/C25H16I4/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H
InChI Key:
GGQCFEVXYDVISX-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)C(c1ccc(cc1)I)(c1ccc(cc1)I)c1ccc(cc1)I
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
823.743g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
824.021g/mol
Monoisotopic Mass:
823.743g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
Literature
| Title | Journal |
|---|---|
| Stable organic azides based on rigid tetrahedral methane and adamantane structures as high energetic materials. | Organic & biomolecular chemistry 20071121 |
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