3-(trifluoromethyl)thiophene-2-carboxylic acid


Chemical Name: 3-(trifluoromethyl)thiophene-2-carboxylic acid
CAS Number: 767337-59-7
Product Number: AG00G71P(AGN-PC-035TJ2)
Synonyms:
MDL No:
Molecular Formula: C6H3F3O2S
Molecular Weight: 196.1470

Identification/Properties


Computed Properties
Molecular Weight:
196.143g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
195.981g/mol
Monoisotopic Mass:
195.981g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
192
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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