[1-oxido-4-(trifluoromethyl)pyridin-1-ium-3-yl]methanamine


Chemical Name: [1-oxido-4-(trifluoromethyl)pyridin-1-ium-3-yl]methanamine
CAS Number: 1799580-70-3
Product Number: AG01DUGG(AGN-PC-0ALKIJ)
Synonyms:
MDL No:
Molecular Formula: C7H7F3N2O
Molecular Weight: 192.1385

Identification/Properties


Computed Properties
Molecular Weight:
192.141g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
192.051g/mol
Monoisotopic Mass:
192.051g/mol
Topological Polar Surface Area:
51.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
174
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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