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1,3,5-tris(N-imidazolylmethyl)-2,4,6-trimethylbenzene

Catalog Number
ACM220593431-1
Product Name
1,3,5-tris(N-imidazolylmethyl)-2,4,6-trimethylbenzene
CAS
220593-43-1
Category
Nitrogen-containing MOF ligand-ternary nitrogen-containing MOF ligand
IUPAC Name
1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole
Molecular Weight
360.5g/mol
Molecular Formula
C21H24N6
InChI
InChI=1S/C21H24N6/c1-16-19(10-25-7-4-22-13-25)17(2)21(12-27-9-6-24-15-27)18(3)20(16)11-26-8-5-23-14-26/h4-9,13-15H,10-12H2,1-3H3
InChI Key
UAVXIWSFNFWPAX-UHFFFAOYSA-N
Complexity
389
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
360.20624479g/mol
Formal Charge
0
Heavy Atom Count
27
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
360.20624479g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
53.5Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
2.1
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