6-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid


Chemical Name: 6-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid
CAS Number: 1211532-15-8
Product Number: AG00HFYF(AGN-PC-0D0RZM)
Synonyms:
MDL No:
Molecular Formula: C8H6F3NO3
Molecular Weight: 221.1333

Identification/Properties


Computed Properties
Molecular Weight:
221.135g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
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:
244
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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