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339103-26-3 | 2-[(2,6-dichlorophenyl)sulfanyl]-3-[3-(trifluoromethyl)phenyl]quinoline
CAS No: 339103-26-3 Catalog No: AG01FOPX MDL No:
Product Description
Catalog Number:
AG01FOPX
Chemical Name:
2-[(2,6-dichlorophenyl)sulfanyl]-3-[3-(trifluoromethyl)phenyl]quinoline
CAS Number:
339103-26-3
IUPAC Name:
2-(2,6-dichlorophenyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]quinoline
InChI:
InChI=1S/C22H12Cl2F3NS/c23-17-8-4-9-18(24)20(17)29-21-16(12-14-5-1-2-10-19(14)28-21)13-6-3-7-15(11-13)22(25,26)27/h1-12H
InChI Key:
CANLFMFCKJIBIF-UHFFFAOYSA-N
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.002g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
450.3g/mol
Monoisotopic Mass:
449.002g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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