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2,1,3-Benzothiadiazole-4,7-dicarboxylic acid

Catalog Number
ACM5170412-2
CAS Number
5170-41-2
Product Name
2,1,3-Benzothiadiazole-4,7-dicarboxylic acid
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
Synonyms
Benzo[c][1,2,5]thiadiazole-4,7-dicarboxylic acid
IUPAC Name
2,1,3-benzothiadiazole-4,7-dicarboxylic acid
Molecular Weight
224.19
Molecular Formula
C8H4N2O4S
InChI
InChI=1S/C8H4N2O4S/c11-7(12)3-1-2-4(8(13)14)6-5(3)9-15-10-6/h1-2H,(H,11,12)(H,13,14)
InChI Key
KLJMFMKPFLWVRM-UHFFFAOYSA-N
Purity
98%
Appearance
Solid
Complexity
270
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
223.98917779g/mol
Formal Charge
0
Heavy Atom Count
15
Hydrogen Bond Acceptor Count
7
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
223.98917779g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
129Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
0.8
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