CAS 1644566-39-1 4,4'-(1h-1,2,4-triazol-1-ylmethylene)bis-benzoic acid

NAVIGATION

4,4'-(1h-1,2,4-triazol-1-ylmethylene)bis-benzoic acid

PRICE INQUIRY

Catalog Number

ACM1644566391

CAS Number

1644566-39-1

Product Name

4,4'-(1h-1,2,4-triazol-1-ylmethylene)bis-benzoic acid

Category

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

IUPAC Name

4-[(4-carboxyphenyl)-(1,2,4-triazol-1-yl)methyl]benzoic acid

Molecular Weight

323.30g/mol

Molecular Formula

C17H13N3O4

InChI

InChI=1S/C17H13N3O4/c21-16(22)13-5-1-11(2-6-13)15(20-10-18-9-19-20)12-3-7-14(8-4-12)17(23)24/h1-10,15H,(H,21,22)(H,23,24)

InChI Key

OMYQMDBEDMTHOJ-UHFFFAOYSA-N

Complexity

423

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

323.09060590g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

323.09060590g/mol

Rotatable Bond Count

Topological Polar Surface Area

105Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

2.3

MSDS

Download MSDS

COA

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Spec Sheet

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