1-Phenyl-1H-1,2,4-triazol-3-ol


Chemical Name: 1-Phenyl-1H-1,2,4-triazol-3-ol
CAS Number: 4231-68-9
Product Number: AG003AXN(AGN-PC-0WALVS)
Synonyms:
MDL No:
Molecular Formula: C8H7N3O
Molecular Weight: 161.1607

Identification/Properties


Properties
MP:
277-280
BP:
392.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
161.164g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
161.059g/mol
Monoisotopic Mass:
161.059g/mol
Topological Polar Surface Area:
44.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
208
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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