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3,6-Bis(4-Pyridyl)-S-Tetrazine

Catalog Number
ACM57654361-2
Product Name
3,6-Bis(4-Pyridyl)-S-Tetrazine
Structure
CAS
57654-36-1
Category
Nitrogen-containing MOF ligand-binary nitrogen-containing MOF ligand
IUPAC Name
3,6-dipyridin-4-yl-1,2,4,5-tetrazine
Molecular Weight
236.23g/mol
Molecular Formula
C12H8N6
InChI
InChI=1S/C12H8N6/c1-5-13-6-2-9(1)11-15-17-12(18-16-11)10-3-7-14-8-4-10/h1-8H
InChI Key
MQSMIIJCRWDMDL-UHFFFAOYSA-N
Complexity
215
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
236.08104428g/mol
Formal Charge
0
Heavy Atom Count
18
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
236.08104428g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
77.3Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
-0.2
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