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tris(p- tetrazolylphenyl) amine

Catalog Number
ACM1346621213-1
Product Name
tris(p- tetrazolylphenyl) amine
CAS
1346621-21-3
Category
Nitrogen-containing MOF ligand-ternary nitrogen-containing MOF ligand
IUPAC Name
4-(2H-tetrazol-5-yl)-N,N-bis[4-(2H-tetrazol-5-yl)phenyl]aniline
Molecular Weight
449.4g/mol
Molecular Formula
C21H15N13
InChI
InChI=1S/C21H15N13/c1-7-16(8-2-13(1)19-22-28-29-23-19)34(17-9-3-14(4-10-17)20-24-30-31-25-20)18-11-5-15(6-12-18)21-26-32-33-27-21/h1-12H,(H,22,23,28,29)(H,24,25,30,31)(H,26,27,32,33)
InChI Key
CHAAVGWPHGJXSW-UHFFFAOYSA-N
Complexity
545
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
449.15733753g/mol
Formal Charge
0
Heavy Atom Count
34
Hydrogen Bond Acceptor Count
10
Hydrogen Bond Donor Count
3
Isotope Atom Count
0
Monoisotopic Mass
449.15733753g/mol
Rotatable Bond Count
6
Stability
tris[4-(1H-tetrazol-5-yl)phenyl]amine
Topological Polar Surface Area
167Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
2.8
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