3-Pyridinecarboxylic acid, 6-(2,2,2-trifluoroethoxy)-


Chemical Name: 3-Pyridinecarboxylic acid, 6-(2,2,2-trifluoroethoxy)-
CAS Number: 175204-90-7
Product Number: AG0020MG(AGN-PC-0KL0O7)
Synonyms:
MDL No:
Molecular Formula: C8H6F3NO3
Molecular Weight: 221.1333

Identification/Properties


Computed Properties
Molecular Weight:
221.135g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
221.03g/mol
Monoisotopic Mass:
221.03g/mol
Topological Polar Surface Area:
59.4A^2
Heavy Atom Count:
15
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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