Home Carboxys 3-Quinolinecarboxylic acid, 4-(trifluoromethyl)-

3-Quinolinecarboxylic acid, 4-(trifluoromethyl)-

CAS No.:
155495-82-2
Catalog Number:
AG001NYB
Molecular Formula:
C11H6F3NO2
Molecular Weight:
241.1660
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Product Description
Catalog Number:
AG001NYB
Chemical Name:
3-Quinolinecarboxylic acid, 4-(trifluoromethyl)-
CAS Number:
155495-82-2
Molecular Formula:
C11H6F3NO2
Molecular Weight:
241.1660
MDL Number:
MFCD08458130
IUPAC Name:
4-(trifluoromethyl)quinoline-3-carboxylic acid
InChI:
InChI=1S/C11H6F3NO2/c12-11(13,14)9-6-3-1-2-4-8(6)15-5-7(9)10(16)17/h1-5H,(H,16,17)
InChI Key:
DPBXCLYXJCGTOU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2c(c1C(F)(F)F)cccc2
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.035g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.169g/mol
Monoisotopic Mass:
241.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties