1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(4-fluorophenyl)piperazine;dihydrochloride


Chemical Name: 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(4-fluorophenyl)piperazine;dihydrochloride
CAS Number: 170856-41-4
Product Number: AG00AKR7(AGN-PC-0MVIZR)
Synonyms:
MDL No:
Molecular Formula: C21H27Cl2FN2O
Molecular Weight: 413.3563

Identification/Properties


Computed Properties
Molecular Weight:
413.358g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
412.148g/mol
Monoisotopic Mass:
412.148g/mol
Topological Polar Surface Area:
15.7A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
405
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:
3
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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