2-(trifluoromethyl)thiazole-4-carboxylic acid


Chemical Name: 2-(trifluoromethyl)thiazole-4-carboxylic acid
CAS Number: 915030-08-9
Product Number: AG00GSHB(AGN-PC-05F9VX)
Synonyms:
MDL No:
Molecular Formula: C5H2F3NO2S
Molecular Weight: 197.1351

Identification/Properties


Computed Properties
Molecular Weight:
197.131g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
196.976g/mol
Monoisotopic Mass:
196.976g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
196
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


NMR Spectrum


Other Analytical Data


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