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1,2,4,5-Tetra(2H-tetrazol-5-yl)benzene

Catalog Number
ACM1291058053-2
CAS Number
1291058-05-3
Product Name
1,2,4,5-Tetra(2H-tetrazol-5-yl)benzene
Category
Customizable MOF Linkers
Synonyms
1,2,4,5-Tetra(2H-tetrazol-5-yl)benzene; 5-[2,4,5-Tris(2H-tetrazol-5-yl)phenyl]-2H-tetrazole
IUPAC Name
5-[2,4,5-tris(2H-tetrazol-5-yl)phenyl]-2H-tetrazole
Molecular Weight
350.26
Molecular Formula
C10H6N16
InChI
InChI=1S/C10H6N16/c1-3(7-11-19-20-12-7)5(9-15-23-24-16-9)2-6(10-17-25-26-18-10)4(1)8-13-21-22-14-8/h1-2H,(H,11,12,19,20)(H,13,14,21,22)(H,15,16,23,24)(H,17,18,25,26)
InChI Key
MIOKKXAVBCYWCJ-UHFFFAOYSA-N
Purity
97%
Complexity
396
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
350.09613426g/mol
Formal Charge
0
Heavy Atom Count
26
Hydrogen Bond Acceptor Count
12
Hydrogen Bond Donor Count
4
Isotope Atom Count
0
Monoisotopic Mass
350.09613426g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
218Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
-1.2
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