4-Chloro-8-(trifluoromethoxy)quinoline-3-carboxylic acid ethyl ester


Chemical Name: 4-Chloro-8-(trifluoromethoxy)quinoline-3-carboxylic acid ethyl ester
CAS Number: 1040013-63-5
Product Number: AG0093FS(AGN-0093A8)
Synonyms:
MDL No:
Molecular Formula: C13H9ClF3NO3
Molecular Weight: 319.6637

Identification/Properties


Computed Properties
Molecular Weight:
319.664g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
4
Exact Mass:
319.022g/mol
Monoisotopic Mass:
319.022g/mol
Topological Polar Surface Area:
48.4A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
380
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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