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128426-94-8 | 3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoroMethoxy)-6,7-difluoro-1,4-dihydro-4-oxo-, ethyl ester
CAS No: 128426-94-8 Catalog No: AG000Y3K MDL No:
Product Description
Catalog Number:
AG000Y3K
Chemical Name:
3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoroMethoxy)-6,7-difluoro-1,4-dihydro-4-oxo-, ethyl ester
CAS Number:
128426-94-8
Molecular Formula:
C16H13F4NO4
Molecular Weight:
359.2723
IUPAC Name:
ethyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate
InChI:
InChI=1S/C16H13F4NO4/c1-2-24-15(23)9-6-21(7-3-4-7)12-8(13(9)22)5-10(17)11(18)14(12)25-16(19)20/h5-7,16H,2-4H2,1H3
InChI Key:
QRKGMXIQKJKKBL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(C2CC2)c2c(c1=O)cc(c(c2OC(F)F)F)F
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.078g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.277g/mol
Monoisotopic Mass:
359.078g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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