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57654-36-1 | 3,6-Di(pyridin-4-yl)-1,2,4,5-tetrazine
CAS No: 57654-36-1 Catalog No: AG0033JW MDL No:
Product Description
Catalog Number:
AG0033JW
Chemical Name:
3,6-Di(pyridin-4-yl)-1,2,4,5-tetrazine
CAS Number:
57654-36-1
Molecular Formula:
C12H8N6
Molecular Weight:
236.2321
IUPAC Name:
3,6-dipyridin-4-yl-1,2,4,5-tetrazine
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
SMILES:
n1ccc(cc1)c1nnc(nn1)c1ccncc1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.081g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.238g/mol
Monoisotopic Mass:
236.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| catena-Poly[[[(triphenyl-phosphane)copper(I)]-di-μ-iodido-[(triphenyl-phosphane)copper(I)]-μ-[3,6-bis-(4-pyrid-yl)-1,2,4,5-tetra-zine]] acetonitrile disolvate]. | Acta crystallographica. Section E, Structure reports online 20101101 |
| Post-synthetic reversible incorporation of organic linkers into porous metal-organic frameworks through single-crystal-to-single-crystal transformations and modification of gas-sorption properties. | Chemistry (Weinheim an der Bergstrasse, Germany) 20101011 |
| Poly[(μ(2)-3,6-di-4-pyridyl-1,2,4,5-tetra-zine)(μ(2)-thio-cyanato)copper(I)]. | Acta crystallographica. Section E, Structure reports online 20100201 |
| Robust metal-organic framework enforced by triple-framework interpenetration exhibiting high H2 storage density. | Inorganic chemistry 20080804 |
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