5-Pyrimidinecarboxylic acid, 4-(trifluoromethyl)-


Chemical Name: 5-Pyrimidinecarboxylic acid, 4-(trifluoromethyl)-
CAS Number: 220880-12-6
Product Number: AG00386G(AGN-PC-00CKHZ)
Synonyms:
MDL No:
Molecular Formula: C6H3F3N2O2
Molecular Weight: 192.0954

Identification/Properties


Computed Properties
Molecular Weight:
192.097g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
192.015g/mol
Monoisotopic Mass:
192.015g/mol
Topological Polar Surface Area:
63.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
207
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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