CAS 335255-80-6 3-(4H-1,2,4-Triazol-4-yl)benzoic acid

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MOFs and COFs Compound

Carboxylic acid nitrogen-containing mixed MOF ligand-binary mixed ligand

3-(4H-1,2,4-Triazol-4-yl)benzoic acid

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Catalog Number

ACM335255806-1

Product Name

3-(4H-1,2,4-Triazol-4-yl)benzoic acid

Structure

CAS

335255-80-6

Category

Carboxylic acid nitrogen-containing mixed MOF ligand-binary mixed ligand

Synonyms

3-Htba

IUPAC Name

3-(1,2,4-triazol-4-yl)benzoic acid

Molecular Weight

189.17

Molecular Formula

C9H7N3O2

InChI

InChI=1S/C9H7N3O2/c13-9(14)7-2-1-3-8(4-7)12-5-10-11-6-12/h1-6H,(H,13,14)

InChI Key

CFDCJKUCKNZXBW-UHFFFAOYSA-N

Purity

97%

Complexity

216

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

189.053826475g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Length

0.5-2 um

Monoisotopic Mass

189.053826475g/mol

Rotatable Bond Count

SSA

>30 m2/g

Topological Polar Surface Area

68Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

0.6

MSDS

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COA

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Spec Sheet

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