2-(1,2,4-triazol-1-yl)benzoic acid;hydrochloride


Chemical Name: 2-(1,2,4-triazol-1-yl)benzoic acid;hydrochloride
CAS Number: 1203898-11-6
Product Number: AG0099SE(AGN-PC-08V1A8)
Synonyms:
MDL No:
Molecular Formula: C9H8ClN3O2
Molecular Weight: 225.6317

Identification/Properties


Computed Properties
Molecular Weight:
225.632g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
225.031g/mol
Monoisotopic Mass:
225.031g/mol
Topological Polar Surface Area:
68A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
222
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:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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