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2,5-Di(1H-imidazol-1-yl)terephthalic acid

Catalog Number
ACM1942879460-3
Product Name
2,5-Di(1H-imidazol-1-yl)terephthalic acid
CAS
1942879-46-0
Category
Carboxylic acid nitrogen-containing mixed MOF ligand-multiple mixed ligand
Synonyms
2,5-Di-1H -imidazol-1-yl-1,4-benzenedicarboxylic acid
IUPAC Name
2,5-di(imidazol-1-yl)terephthalic acid
Molecular Weight
298.25
Molecular Formula
C14H10N4O4
InChI
InChI=1S/C14H10N4O4/c19-13(20)9-6-12(18-4-2-16-8-18)10(14(21)22)5-11(9)17-3-1-15-7-17/h1-8H,(H,19,20)(H,21,22)
InChI Key
VJXCLSZDBWNUJU-UHFFFAOYSA-N
Purity
97%
Appearance
Off-white solid
Complexity
407
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
298.07020481g/mol
Formal Charge
0
Heavy Atom Count
22
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
298.07020481g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
110Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
0.5
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