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19271-19-3 | 2-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-4-oxo-, methyl ester
CAS No: 19271-19-3 Catalog No: AG002G9D MDL No:MFCD16036728
Product Description
Catalog Number:
AG002G9D
Chemical Name:
2-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-4-oxo-, methyl ester
CAS Number:
19271-19-3
Molecular Formula:
C11H8FNO3
Molecular Weight:
221.1845
MDL Number:
MFCD16036728
IUPAC Name:
methyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
InChI:
InChI=1S/C11H8FNO3/c1-16-11(15)9-5-10(14)7-4-6(12)2-3-8(7)13-9/h2-5H,1H3,(H,13,14)
InChI Key:
BESDSRIEDPEFRN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(=O)c2c([nH]1)ccc(c2)F
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.187g/mol
Monoisotopic Mass:
221.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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