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121935-03-3 | 3-Quinolinecarboxylic acid, 6-(difluoromethoxy)-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
CAS No: 121935-03-3 Catalog No: AG0016EZ MDL No:
Product Description
Catalog Number:
AG0016EZ
Chemical Name:
3-Quinolinecarboxylic acid, 6-(difluoromethoxy)-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
CAS Number:
121935-03-3
Molecular Formula:
C15H15F2N3O4
Molecular Weight:
339.2941
IUPAC Name:
6-(difluoromethoxy)-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C15H15F2N3O4/c16-15(17)24-12-5-8-10(19-7-9(13(8)21)14(22)23)6-11(12)20-3-1-18-2-4-20/h5-7,15,18H,1-4H2,(H,19,21)(H,22,23)
InChI Key:
BWUZDTRHFMTIKP-UHFFFAOYSA-N
SMILES:
FC(Oc1cc2c(cc1N1CCNCC1)[nH]cc(c2=O)C(=O)O)F
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.103g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
339.299g/mol
Monoisotopic Mass:
339.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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