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188781-52-4 | 5-Pyrimidinecarboxylic acid, 1,2-dihydro-2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-, ethyl ester
CAS No: 188781-52-4 Catalog No: AG002HBA MDL No:
Product Description
Catalog Number:
AG002HBA
Chemical Name:
5-Pyrimidinecarboxylic acid, 1,2-dihydro-2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-, ethyl ester
CAS Number:
188781-52-4
Molecular Formula:
C9H7F5N2O3
Molecular Weight:
286.1555
IUPAC Name:
ethyl 2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C9H7F5N2O3/c1-2-19-6(17)4-3-15-7(18)16-5(4)8(10,11)9(12,13)14/h3H,2H2,1H3,(H,15,16,18)
InChI Key:
MVFIJAHGCXXOIN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(=O)[nH]c1C(C(F)(F)F)(F)F
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.038g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.158g/mol
Monoisotopic Mass:
286.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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