Benzoic acid, 2-(1H-tetrazol-5-yl)-


Chemical Name: Benzoic acid, 2-(1H-tetrazol-5-yl)-
CAS Number: 13947-58-5
Product Number: AG001B2W(AGN-PC-0O1U85)
Synonyms:
MDL No: MFCD03308576
Molecular Formula: C8H6N4O2
Molecular Weight: 190.1588

Identification/Properties


Computed Properties
Molecular Weight:
190.162g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
190.049g/mol
Monoisotopic Mass:
190.049g/mol
Topological Polar Surface Area:
91.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
223
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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