4-Quinolinecarboxylic acid, 3-(trifluoromethyl)-


Chemical Name: 4-Quinolinecarboxylic acid, 3-(trifluoromethyl)-
CAS Number: 588702-65-2
Product Number: AG00EAGM(AGN-PC-007GZ1)
Synonyms:
MDL No:
Molecular Formula: C11H6F3NO2
Molecular Weight: 241.1660

Identification/Properties


Computed Properties
Molecular Weight:
241.169g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
241.035g/mol
Monoisotopic Mass:
241.035g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
306
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

Safety Information


NMR Spectrum


Other Analytical Data


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