2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-1-phenyl-,(3R)-1-azabicyclo[2.2.2]oct-3-yl ester, monohydrochloride, (1S)-


Chemical Name: 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-1-phenyl-,(3R)-1-azabicyclo[2.2.2]oct-3-yl ester, monohydrochloride, (1S)-
CAS Number: 180468-39-7
Product Number: AG002203(AGN-PC-0QBT0V)
Synonyms:
MDL No:
Molecular Formula: C23H27ClN2O2
Molecular Weight: 398.9257

Identification/Properties


Computed Properties
Molecular Weight:
398.931g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
398.176g/mol
Monoisotopic Mass:
398.176g/mol
Topological Polar Surface Area:
32.8A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
525
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
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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