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4,4'-Bi-4H-1,2,4-triazole

Catalog Number
ACM16227159-2
CAS Number
16227-15-9
Product Name
4,4'-Bi-4H-1,2,4-triazole
Category
Nitrogen-containing MOF ligand-binary nitrogen-containing MOF ligand
Synonyms
4,4'-Azo-1,2,4-triazole
IUPAC Name
4-(1,2,4-triazol-4-yl)-1,2,4-triazole
Molecular Weight
136.11
Molecular Formula
C4H4N6
InChI
InChI=1S/C4H4N6/c1-5-6-2-9(1)10-3-7-8-4-10/h1-4H
InChI Key
RDYNPUWAAJSGIP-UHFFFAOYSA-N
Purity
97%
Appearance
White solid
Complexity
90.3
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
136.04974415g/mol
Formal Charge
0
Heavy Atom Count
10
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
136.04974415g/mol
Rotatable Bond Count
1
Topological Polar Surface Area
61.4Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
-1
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