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1645-99-4 | 4-Pyrimidinecarboxylic acid, 5-fluoro-1,6-dihydro-2-methyl-6-oxo-, methyl ester
CAS No: 1645-99-4 Catalog No: AG001UX3 MDL No:
Product Description
Catalog Number:
AG001UX3
Chemical Name:
4-Pyrimidinecarboxylic acid, 5-fluoro-1,6-dihydro-2-methyl-6-oxo-, methyl ester
CAS Number:
1645-99-4
Molecular Formula:
C7H7FN2O3
Molecular Weight:
186.1405
IUPAC Name:
methyl 5-fluoro-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
InChI:
InChI=1S/C7H7FN2O3/c1-3-9-5(7(12)13-2)4(8)6(11)10-3/h1-2H3,(H,9,10,11)
InChI Key:
JFEKNCREROKYCI-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(C)[nH]c(=O)c1F
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.142g/mol
Monoisotopic Mass:
186.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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