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4-(1H-Tetrazol-5-yl)benzoic acid

Catalog Number
ACM34114120-2
Product Name
4-(1H-Tetrazol-5-yl)benzoic acid
Structure
CAS
34114-12-0
Category
Carboxylic acid nitrogen-containing mixed MOF ligand-binary mixed ligand
IUPAC Name
4-(2H-tetrazol-5-yl)benzoic acid
Molecular Weight
190.16g/mol
Molecular Formula
C8H6N4O2
InChI
InChI=1S/C8H6N4O2/c13-8(14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12)
InChI Key
GEKBULKUEADYRB-UHFFFAOYSA-N
Complexity
215
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
190.04907545g/mol
Formal Charge
0
Heavy Atom Count
14
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Length
0.5-2 um
Monoisotopic Mass
190.04907545g/mol
NSC Number
282009
Rotatable Bond Count
2
SSA
>200 m2/g
Topological Polar Surface Area
91.8Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
0.7
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