1,3,4-Oxadiazol-2-amine, 5-phenyl-


Chemical Name: 1,3,4-Oxadiazol-2-amine, 5-phenyl-
CAS Number: 1612-76-6
Product Number: AG001S98(AGN-PC-0JKC95)
Synonyms:
MDL No:
Molecular Formula: C8H7N3O
Molecular Weight: 161.1607

Identification/Properties


Computed Properties
Molecular Weight:
161.164g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
161.059g/mol
Monoisotopic Mass:
161.059g/mol
Topological Polar Surface Area:
64.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
147
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

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NMR Spectrum


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