1H-Pyrazole-5-carboxylic acid, 1-methyl-3-(trifluoromethyl)-


Chemical Name: 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-(trifluoromethyl)-
CAS Number: 128694-63-3
Product Number: AG000YBT(AGN-PC-0JTOO8)
Synonyms:
MDL No:
Molecular Formula: C6H5F3N2O2
Molecular Weight: 194.1113

Identification/Properties


Computed Properties
Molecular Weight:
194.113g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
194.03g/mol
Monoisotopic Mass:
194.03g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
218
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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