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154934-95-9 | 5-Pyrimidinecarboxylic acid, 1,2-dihydro-2-oxo-6-(trifluoromethyl)-
CAS No: 154934-95-9 Catalog No: AG001NH7 MDL No:MFCD12827697
Product Description
Catalog Number:
AG001NH7
Chemical Name:
5-Pyrimidinecarboxylic acid, 1,2-dihydro-2-oxo-6-(trifluoromethyl)-
CAS Number:
154934-95-9
Molecular Formula:
C6H3F3N2O3
Molecular Weight:
208.0948
MDL Number:
MFCD12827697
IUPAC Name:
2-oxo-6-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C6H3F3N2O3/c7-6(8,9)3-2(4(12)13)1-10-5(14)11-3/h1H,(H,12,13)(H,10,11,14)
InChI Key:
CCCPTIXLRAGZFG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(=O)[nH]c1C(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:
6
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:
-0.1
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