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2,4,6-Tris(4-Carboxyphenyl)-1,3,5-Triazine

Catalog Number
ACM61414162-3
Product Name
2,4,6-Tris(4-Carboxyphenyl)-1,3,5-Triazine
Structure
CAS
61414-16-2
Category
Carboxylic acid MOF ligand-polycarboxylic acid MOFs ligand
IUPAC Name
4-[4,6-bis(4-carboxyphenyl)-1,3,5-triazin-2-yl]benzoic acid
Molecular Weight
441.4g/mol
Molecular Formula
C24H15N3O6
InChI
InChI=1S/C24H15N3O6/c28-22(29)16-7-1-13(2-8-16)19-25-20(14-3-9-17(10-4-14)23(30)31)27-21(26-19)15-5-11-18(12-6-15)24(32)33/h1-12H,(H,28,29)(H,30,31)(H,32,33)
InChI Key
MSFXUHUYNSYIDR-UHFFFAOYSA-N
Complexity
602
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
441.09608521g/mol
Formal Charge
0
Heavy Atom Count
33
Hydrogen Bond Acceptor Count
9
Hydrogen Bond Donor Count
3
Isotope Atom Count
0
Monoisotopic Mass
441.09608521g/mol
Rotatable Bond Count
6
SSA
700-800 m2/g
Topological Polar Surface Area
151Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
3.5
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