CAS 1627605-35-9 5,5'-(benzo[c][1,2,5]thiadiazole-4,7-diyl)diisophthalic acid

NAVIGATION

5,5'-(benzo[c][1,2,5]thiadiazole-4,7-diyl)diisophthalic acid

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Catalog Number

ACM1627605359-1

CAS Number

1627605-35-9

Product Name

5,5'-(benzo[c][1,2,5]thiadiazole-4,7-diyl)diisophthalic acid

Category

Carboxylic acid MOF ligand-tetracarboxylic acid MOF ligand

IUPAC Name

5-[4-(3,5-dicarboxyphenyl)-2,1,3-benzothiadiazol-7-yl]benzene-1,3-dicarboxylic acid

Molecular Weight

464.4g/mol

Molecular Formula

C22H12N2O8S

InChI

InChI=1S/C22H12N2O8S/c25-19(26)11-3-9(4-12(7-11)20(27)28)15-1-2-16(18-17(15)23-33-24-18)10-5-13(21(29)30)8-14(6-10)22(31)32/h1-8H,(H,25,26)(H,27,28)(H,29,30)(H,31,32)

InChI Key

GSCHFZSDZMYOKV-UHFFFAOYSA-N

Complexity

701

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

464.03143652g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

464.03143652g/mol

Rotatable Bond Count

Topological Polar Surface Area

203Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

3.1

MSDS

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COA

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Spec Sheet

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