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16377-62-1 | 2-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-4-oxo-, ethyl ester
CAS No: 16377-62-1 Catalog No: AG001UE3 MDL No:MFCD11504932
Product Description
Catalog Number:
AG001UE3
Chemical Name:
2-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-4-oxo-, ethyl ester
CAS Number:
16377-62-1
Molecular Formula:
C12H10FNO3
Molecular Weight:
235.2111
MDL Number:
MFCD11504932
IUPAC Name:
ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
InChI:
InChI=1S/C12H10FNO3/c1-2-17-12(16)10-6-11(15)8-5-7(13)3-4-9(8)14-10/h3-6H,2H2,1H3,(H,14,15)
InChI Key:
DEPYDFBYFAIPPA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(=O)c2c([nH]1)ccc(c2)F
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.214g/mol
Monoisotopic Mass:
235.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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