3-[(1S)-5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine oxide


Chemical Name: 3-[(1S)-5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine oxide
CAS Number: 63284-72-0
Product Number: AG00EFCK(AGN-PC-00QUEJ)
Synonyms:
MDL No:
Molecular Formula: C20H21FN2O2
Molecular Weight: 340.3913432

Identification/Properties


Computed Properties
Molecular Weight:
340.398g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
340.159g/mol
Monoisotopic Mass:
340.159g/mol
Topological Polar Surface Area:
51.1A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
509
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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