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188781-49-9 | 5-Pyrimidinecarboxylic acid, 3,4-dihydro-4-oxo-2-(trifluoromethyl)-
CAS No: 188781-49-9 Catalog No: AG002HBB MDL No:
Product Description
Catalog Number:
AG002HBB
Chemical Name:
5-Pyrimidinecarboxylic acid, 3,4-dihydro-4-oxo-2-(trifluoromethyl)-
CAS Number:
188781-49-9
Molecular Formula:
C6H3F3N2O3
Molecular Weight:
208.0948
IUPAC Name:
6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C6H3F3N2O3/c7-6(8,9)5-10-1-2(4(13)14)3(12)11-5/h1H,(H,13,14)(H,10,11,12)
InChI Key:
CNLZIQCTGUBLFK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc([nH]c1=O)C(F)(F)F
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.096g/mol
Monoisotopic Mass:
208.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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