1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid


Chemical Name: 1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CAS Number: 1260855-51-3
Product Number: AG000RFZ(AGN-PC-09RWO0)
Synonyms:
MDL No:
Molecular Formula: C11H7F3N2O2
Molecular Weight: 256.1807

Identification/Properties


Computed Properties
Molecular Weight:
256.184g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
256.046g/mol
Monoisotopic Mass:
256.046g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
322
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


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