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5,5'-di(1H-1,2,4-triazol-1-yl)-[1,1'-biphenyl]-3,3'-dicarboxylic acid

Catalog Number
ACM2097938537-3
CAS Number
2097938-53-7
Product Name
5,5'-di(1H-1,2,4-triazol-1-yl)-[1,1'-biphenyl]-3,3'-dicarboxylic acid
Category
Carboxylic acid nitrogen-containing mixed MOF ligand-multiple mixed ligand
Synonyms
[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 5,5'-di-1H-1,2,4-triazol-1-yl-
IUPAC Name
3-[3-carboxy-5-(1,2,4-triazol-1-yl)phenyl]-5-(1,2,4-triazol-1-yl)benzoic acid
Molecular Weight
376.33
Molecular Formula
C18H12N6O4
InChI
InChI=1S/C18H12N6O4/c25-17(26)13-1-11(3-15(5-13)23-9-19-7-21-23)12-2-14(18(27)28)6-16(4-12)24-10-20-8-22-24/h1-10H,(H,25,26)(H,27,28)
InChI Key
GJXSPTOJPFIENF-UHFFFAOYSA-N
Purity
98%
Appearance
Off-white solid
Complexity
542
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
376.09200289g/mol
Formal Charge
0
Heavy Atom Count
28
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
376.09200289g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
136Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
2.1
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