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5-(4-((1H-1,2,4-triazol-1-yl)methyl)phenyl)-1H-tetrazole

Catalog Number
ACM19057502-5
Product Name
5-(4-((1H-1,2,4-triazol-1-yl)methyl)phenyl)-1H-tetrazole
CAS
19057-50-2
Category
Nitrogen-containing MOF ligand-binary nitrogen-containing MOF ligand
IUPAC Name
1,2,3,4,5,6-hexakis(4-bromophenyl)benzene
Molecular Weight
1008.1g/mol
Molecular Formula
C42H24Br6
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
Complexity
745
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
1007.69168g/mol
Formal Charge
0
Heavy Atom Count
48
Hydrogen Bond Acceptor Count
0
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
1001.69783g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
0Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
15.8
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