Ethanone, 1-[3-(4H-1,2,4-triazol-4-yl)phenyl]-


Chemical Name: Ethanone, 1-[3-(4H-1,2,4-triazol-4-yl)phenyl]-
CAS Number: 1515012-63-1
Product Number: AG01AMQ4(AGN-PC-0WALG3)
Synonyms:
MDL No:
Molecular Formula: C10H9N3O
Molecular Weight: 187.1980

Identification/Properties


Computed Properties
Molecular Weight:
187.202g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
187.075g/mol
Monoisotopic Mass:
187.075g/mol
Topological Polar Surface Area:
47.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
213
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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