CAS 65697-90-7 4,4'-(1H-1,2,4-triazole-3,5-diyl)bis-Benzoic acid

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4,4'-(1H-1,2,4-triazole-3,5-diyl)bis-Benzoic acid

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Catalog Number

ACM65697907-2

CAS Number

65697-90-7

Product Name

4,4'-(1H-1,2,4-triazole-3,5-diyl)bis-Benzoic acid

Category

Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand

Synonyms

Benzoic acid, 4,4'-(1H-1,2,4-triazole-3,5-diyl)bis-; H2bcpt; H2TADIBA

IUPAC Name

4-[3-(4-carboxyphenyl)-1H-1,2,4-triazol-5-yl]benzoic acid

Molecular Weight

309.28

Molecular Formula

C16H11N3O4

InChI

InChI=1S/C16H11N3O4/c20-15(21)11-5-1-9(2-6-11)13-17-14(19-18-13)10-3-7-12(8-4-10)16(22)23/h1-8H,(H,20,21)(H,22,23)(H,17,18,19)

InChI Key

SXSLRMSHMPMPHK-UHFFFAOYSA-N

Purity

97%

Appearance

White powder

Complexity

443

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

309.07495584g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

309.07495584g/mol

Rotatable Bond Count

Topological Polar Surface Area

116Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

2.4

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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