2-(2H-1,2,3-Triazol-2-yl)benzoic Acid


Chemical Name: 2-(2H-1,2,3-Triazol-2-yl)benzoic Acid
CAS Number: 1001401-62-2
Product Number: AG00012J(AGN-PC-0WA4ZC)
Synonyms:
MDL No:
Molecular Formula: C9H7N3O2
Molecular Weight: 189.1708

Identification/Properties


Computed Properties
Molecular Weight:
189.174g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
189.054g/mol
Monoisotopic Mass:
189.054g/mol
Topological Polar Surface Area:
68A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
216
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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