6-(trifluoroMethyl)isoquinolin-1-aMine


Chemical Name: 6-(trifluoroMethyl)isoquinolin-1-aMine
CAS Number: 1196157-31-9
Product Number: AG0099P8(AGN-0099JO)
Synonyms:
MDL No:
Molecular Formula: C10H7F3N2
Molecular Weight: 212.1712

Identification/Properties


Computed Properties
Molecular Weight:
212.175g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
212.056g/mol
Monoisotopic Mass:
212.056g/mol
Topological Polar Surface Area:
38.9A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
229
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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