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1214325-45-7 | 3-Pyridinecarboxylic acid, 5-fluoro-1,2-dihydro-2-oxo-, ethyl ester
CAS No: 1214325-45-7 Catalog No: AG0014RX MDL No:
Product Description
Catalog Number:
AG0014RX
Chemical Name:
3-Pyridinecarboxylic acid, 5-fluoro-1,2-dihydro-2-oxo-, ethyl ester
CAS Number:
1214325-45-7
Molecular Formula:
C8H8FNO3
Molecular Weight:
185.1524
IUPAC Name:
ethyl 5-fluoro-2-oxo-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C8H8FNO3/c1-2-13-8(12)6-3-5(9)4-10-7(6)11/h3-4H,2H2,1H3,(H,10,11)
InChI Key:
OSRCDGKPPYLUEN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(F)c[nH]c1=O
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.154g/mol
Monoisotopic Mass:
185.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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