5-Pyrimidinecarboxylic acid, 4-methyl-2-(trifluoromethyl)-


Chemical Name: 5-Pyrimidinecarboxylic acid, 4-methyl-2-(trifluoromethyl)-
CAS Number: 306960-74-7
Product Number: AG0030YQ(AGN-PC-0N5PU7)
Synonyms:
MDL No:
Molecular Formula: C7H5F3N2O2
Molecular Weight: 206.1220

Identification/Properties


Computed Properties
Molecular Weight:
206.124g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
206.03g/mol
Monoisotopic Mass:
206.03g/mol
Topological Polar Surface Area:
63.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
232
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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