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1, 3- bis(4- carboxyphenyl) imidazolium

Catalog Number
ACM1414629405
CAS Number
1414629-40-5
Product Name
1, 3- bis(4- carboxyphenyl) imidazolium
Category
Customizable MOF Linkers
IUPAC Name
4-[3-(4-carboxyphenyl)imidazol-3-ium-1-yl]benzoic acid;chloride
Molecular Weight
344.7g/mol
Molecular Formula
C17H13ClN2O4
InChI
InChI=1S/C17H12N2O4.ClH/c20-16(21)12-1-5-14(6-2-12)18-9-10-19(11-18)15-7-3-13(4-8-15)17(22)23;/h1-11H,(H-,20,21,22,23);1H
InChI Key
FKVTWWKYGXDSGJ-UHFFFAOYSA-N
Complexity
400
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
344.0563846g/mol
Formal Charge
0
Heavy Atom Count
24
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Length
5-10 mm
Monoisotopic Mass
344.0563846g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
83.4Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
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