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6-chloro-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]quinoline-4-carboxy

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摘 要: 6-chloro-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]quinoline-4-carboxylic,acid,Canonical SMILES: CC1=C(C=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Cl)C(=C3)C(=O)O)Cl,InChI: InChI=1/C21H13Cl2NO3/c1-11-2-3-12(8-16(11)23)19-6-7-20(27-19)18-10-15(21,(25)26)14-
[Synonyms]

[Structure]
 6-chloro-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]quinoline-4-carboxy

[ Properties Computed from Structure]
Molecular Weight398.23882 [g/mol]
Molecular FormulaC21H13Cl2NO3
XLogP5.9
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count3
Exact Mass397.027249
MonoIsotopic Mass397.027249
Topological Polar Surface Area63.3
Heavy Atom Count27
Formal Charge0
Complexity548
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 6-chloro-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]quinoline-4-carboxylic
acid
Canonical SMILES: CC1=C(C=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Cl)C(=C3)C(=O)O)Cl
InChI: InChI=1/C21H13Cl2NO3/c1-11-2-3-12(8-16(11)23)19-6-7-20(27-19)18-10-15(21
(25)26)14-9-13(22)4-5-17(14)24-18/h2-10H,1H3,(H,25,26)/f/h25H

 
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