1-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrobromide


Chemical Name: 1-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrobromide
CAS Number: 64169-58-0
Product Number: AG00EFDS(AGN-PC-0NISLD)
Synonyms:
MDL No:
Molecular Formula: C20H22BrClN2O
Molecular Weight: 421.75848

Identification/Properties


Computed Properties
Molecular Weight:
421.763g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
420.06g/mol
Monoisotopic Mass:
420.06g/mol
Topological Polar Surface Area:
36.3A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
466
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:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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