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125292-94-6 | 3-Quinolinecarboxylic acid, 7-chloro-4-ethoxy-6-fluoro-, ethyl ester
CAS No: 125292-94-6 Catalog No: AG000NG3 MDL No:MFCD00174084
Product Description
Catalog Number:
AG000NG3
Chemical Name:
3-Quinolinecarboxylic acid, 7-chloro-4-ethoxy-6-fluoro-, ethyl ester
CAS Number:
125292-94-6
Molecular Formula:
C14H13ClFNO3
Molecular Weight:
297.7093
MDL Number:
MFCD00174084
IUPAC Name:
ethyl 7-chloro-4-ethoxy-6-fluoroquinoline-3-carboxylate
InChI:
InChI=1S/C14H13ClFNO3/c1-3-19-13-8-5-11(16)10(15)6-12(8)17-7-9(13)14(18)20-4-2/h5-7H,3-4H2,1-2H3
InChI Key:
BXQQSVJCMMSJSK-UHFFFAOYSA-N
SMILES:
CCOc1c(cnc2c1cc(F)c(c2)Cl)C(=O)OCC
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.71g/mol
Monoisotopic Mass:
297.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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