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5,5'-(1,4-Phenylene)Bis-2H-Tetrazole

Catalog Number
ACM6926494-1
CAS Number
6926-49-4
Product Name
5,5'-(1,4-Phenylene)Bis-2H-Tetrazole
Category
Nitrogen-containing MOF ligand-binary nitrogen-containing MOF ligand
IUPAC Name
5-[4-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole
Molecular Weight
214.19g/mol
Molecular Formula
C8H6N8
InChI
InChI=1S/C8H6N8/c1-2-6(8-11-15-16-12-8)4-3-5(1)7-9-13-14-10-7/h1-4H,(H,9,10,13,14)(H,11,12,15,16)
InChI Key
TUSPQFBMQKZVAL-UHFFFAOYSA-N
Complexity
204
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
214.07154223g/mol
Formal Charge
0
Heavy Atom Count
16
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
214.07154223g/mol
NSC Number
133356
Rotatable Bond Count
2
Topological Polar Surface Area
109Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
0.3
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