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4,4',4''-(Benzene-1,3,5-triyltris(azanediyl))tribenzoicacid

Name: 4,4',4''-(Benzene-1,3,5-triyltris(azanediyl))tribenzoicacid
SKU: ACM1258012291-2
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Catalog NumberACM1258012291-2

CAS Number1258012-29-1

CategoryCarboxylic acid MOF ligand-tricarboxylic acid MOF ligand

Synonyms

4,4',4''-(Benzene-1,3,5-triyltris(azanediyl))tribenzoate)

IUPAC Name

4-[3,5-bis(4-carboxyanilino)anilino]benzoic acid

Molecular Weight

483.47

Molecular Formula

C27H21N3O6

InChI

InChI=1S/C27H21N3O6/c31-25(32)16-1-7-19(8-2-16)28-22-13-23(29-20-9-3-17(4-10-20)26(33)34)15-24(14-22)30-21-11-5-18(6-12-21)27(35)36/h1-15,28-30H,(H,31,32)(H,33,34)(H,35,36)

InChI Key

QPDKZYKUPNCXJF-UHFFFAOYSA-N

Purity

95%

Complexity

643

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

483.14303540g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

483.14303540g/mol

Rotatable Bond Count

Topological Polar Surface Area

148Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

5.1

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