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2-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid

Catalog Number
ACM876718013-1
CAS Number
876718-01-3
Product Name
2-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid
Structure
Category
Carboxylic acid nitrogen-containing mixed MOF ligand-binary mixed ligand
Synonyms
2-[1,2,4]Triazol-1-ylmethyl-benzoic acid
IUPAC Name
2-(1,2,4-triazol-1-ylmethyl)benzoic acid
Molecular Weight
203.20
Molecular Formula
C10H9N3O2
InChI
InChI=1S/C10H9N3O2/c14-10(15)9-4-2-1-3-8(9)5-13-7-11-6-12-13/h1-4,6-7H,5H2,(H,14,15)
InChI Key
KPKNLIVZZRDKGI-UHFFFAOYSA-N
Purity
98%
Complexity
235
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
203.069476538g/mol
Formal Charge
0
Heavy Atom Count
15
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Length
10-30um
Monoisotopic Mass
203.069476538g/mol
Rotatable Bond Count
3
SSA
>110 m2/g
Topological Polar Surface Area
68Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.1
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