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4-Amino-3,5-bis(3-carboxyphenyl)-4H-1,2,4-triazole

Catalog Number
ACM923057856-1
CAS Number
923057-85-6
Product Name
4-Amino-3,5-bis(3-carboxyphenyl)-4H-1,2,4-triazole
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
Synonyms
3,3'-(4-Amino-4H-1,2,4-Triazole-3,5-Diyl)Dibenzoic Acid; 3-[4-amino-5-(3-carboxyphenyl)-1,2,4-triazol-3-yl]benzoic acid
Molecular Weight
324.29
Molecular Formula
C16H12N4O4
InChI
InChI=1S/C16H12N4O4/c17-20-13(9-3-1-5-11(7-9)15(21)22)18-19-14(20)10-4-2-6-12(8-10)16(23)24/h1-8H,17H2,(H,21,22)(H,23,24)
InChI Key
FBOJVQHWWJXBET-UHFFFAOYSA-N
Purity
95%
Appearance
Off-white powder
Complexity
447
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
324.08585488g/mol
Formal Charge
0
Heavy Atom Count
24
Hydrogen Bond Acceptor Count
7
Hydrogen Bond Donor Count
3
Isotope Atom Count
0
Monoisotopic Mass
324.08585488g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
131Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.6
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