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19057-50-2 | 1,1':2',1''-Terphenyl, 4,4''-dibromo-3',4',5',6'-tetrakis(4-bromophenyl)-
CAS No: 19057-50-2 Catalog No: AG002EN2 MDL No:
Product Description
Catalog Number:
AG002EN2
Chemical Name:
1,1':2',1''-Terphenyl, 4,4''-dibromo-3',4',5',6'-tetrakis(4-bromophenyl)-
CAS Number:
19057-50-2
Molecular Formula:
C42H24Br6
Molecular Weight:
1008.0640
IUPAC Name:
1,2,3,4,5,6-hexakis(4-bromophenyl)benzene
InChI:
InChI=1S/C42H24Br6/c43-31-13-1-25(2-14-31)37-38(26-3-15-32(44)16-4-26)40(28-7-19-34(46)20-8-28)42(30-11-23-36(48)24-12-30)41(29-9-21-35(47)22-10-29)39(37)27-5-17-33(45)18-6-27/h1-24H
InChI Key:
KUSYGQSHKDPKRR-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1c(c2ccc(cc2)Br)c(c2ccc(cc2)Br)c(c(c1c1ccc(cc1)Br)c1ccc(cc1)Br)c1ccc(cc1)Br
Properties
Complexity:
745
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1007.692g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1008.078g/mol
Monoisotopic Mass:
1001.698g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.8
Literature
| Title | Journal |
|---|---|
| Multiple-electron transfer in a single step. Design and synthesis of highly charged cation-radical salts. | Organic letters 20010906 |
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