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1267461-58-4 | 4-Pyrimidinecarboxylic acid, 2-(4-fluorophenyl)-1,6-dihydro-6-oxo-
CAS No: 1267461-58-4 Catalog No: AG000T66 MDL No:MFCD15731688
Product Description
Catalog Number:
AG000T66
Chemical Name:
4-Pyrimidinecarboxylic acid, 2-(4-fluorophenyl)-1,6-dihydro-6-oxo-
CAS Number:
1267461-58-4
Molecular Formula:
C11H7FN2O3
Molecular Weight:
234.1833
MDL Number:
MFCD15731688
IUPAC Name:
2-(4-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C11H7FN2O3/c12-7-3-1-6(2-4-7)10-13-8(11(16)17)5-9(15)14-10/h1-5H,(H,16,17)(H,13,14,15)
InChI Key:
IJSQPQSKJVHBFO-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1nc(cc(=O)[nH]1)C(=O)O
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.044g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.186g/mol
Monoisotopic Mass:
234.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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