4-(2-methyl-2H-tetrazol-5-yl)benzoic acid


Chemical Name: 4-(2-methyl-2H-tetrazol-5-yl)benzoic acid
CAS Number: 211942-53-9
Product Number: AG00BERZ(AGN-PC-0WAJ2T)
Synonyms:
MDL No:
Molecular Formula: C9H8N4O2
Molecular Weight: 204.1854

Identification/Properties


Computed Properties
Molecular Weight:
204.189g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
204.065g/mol
Monoisotopic Mass:
204.065g/mol
Topological Polar Surface Area:
80.9A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
240
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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