6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid


Chemical Name: 6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid
CAS Number: 1211537-27-7
Product Number: AG003861(AGN-PC-0BS7I1)
Synonyms:
MDL No:
Molecular Formula: C8H3F3N2O2
Molecular Weight: 216.1168

Identification/Properties


Computed Properties
Molecular Weight:
216.119g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
216.015g/mol
Monoisotopic Mass:
216.015g/mol
Topological Polar Surface Area:
74A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
307
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

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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