4-(trifluoromethyl)pyrimidine-2-carboxylic acid


Chemical Name: 4-(trifluoromethyl)pyrimidine-2-carboxylic acid
CAS Number: 1000931-46-3
Product Number: AG0000VN(AGN-PC-04YOIC)
Synonyms:
MDL No:
Molecular Formula: C6H3F3N2O2
Molecular Weight: 192.0954

Identification/Properties


Computed Properties
Molecular Weight:
192.097g/mol
XLogP3:
1
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H320-H335
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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