2-Amino-4-(trifluoromethyl)nicotinic acid


Chemical Name: 2-Amino-4-(trifluoromethyl)nicotinic acid
CAS Number: 1227489-68-0
Product Number: AG000J90(AGN-PC-0WAGCS)
Synonyms:
MDL No:
Molecular Formula: C7H5F3N2O2
Molecular Weight: 206.1220

Identification/Properties


Computed Properties
Molecular Weight:
206.124g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
206.03g/mol
Monoisotopic Mass:
206.03g/mol
Topological Polar Surface Area:
76.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
232
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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