5-(4-imidazol-1-ylphenyl)-2H-tetrazole


Chemical Name: 5-(4-imidazol-1-ylphenyl)-2H-tetrazole
CAS Number: 188890-72-4
Product Number: AG002HFW(AGN-PC-0K5UJS)
Synonyms:
MDL No: MFCD00138188
Molecular Formula: C10H8N6
Molecular Weight: 212.2107

Identification/Properties


Computed Properties
Molecular Weight:
212.216g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
212.081g/mol
Monoisotopic Mass:
212.081g/mol
Topological Polar Surface Area:
72.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
227
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:
Signal Word:
Danger
UN#:
1325
Hazard Statements:
H315-H319-H228
Precautionary Statements:
P240-P210-P241-P264-P280-P370+P378-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362
Class:
4.1
Packing Group:

NMR Spectrum


Other Analytical Data


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