2, 3, 6-Trifluoroisonicotinic acid


Chemical Name: 2, 3, 6-Trifluoroisonicotinic acid
CAS Number: 675602-92-3
Product Number: AG003FFU(AGN-PC-0KL1XP)
Synonyms:
MDL No:
Molecular Formula: C6H2F3NO2
Molecular Weight: 177.0807896

Identification/Properties


Computed Properties
Molecular Weight:
177.082g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
177.004g/mol
Monoisotopic Mass:
177.004g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
190
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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