Home Carboxys 6-fluoro-4-(trifluoromethyl)quinoline-3-carboxylic acid

6-fluoro-4-(trifluoromethyl)quinoline-3-carboxylic acid

CAS No.:
596845-53-3
Catalog Number:
AG01A8VG
Molecular Formula:
C11H5F4NO2
Molecular Weight:
259.1565
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Product Description
Catalog Number:
AG01A8VG
Chemical Name:
6-fluoro-4-(trifluoromethyl)quinoline-3-carboxylic acid
CAS Number:
596845-53-3
Molecular Formula:
C11H5F4NO2
Molecular Weight:
259.1565
MDL Number:
MFCD09040799
IUPAC Name:
6-fluoro-4-(trifluoromethyl)quinoline-3-carboxylic acid
InChI:
InChI=1S/C11H5F4NO2/c12-5-1-2-8-6(3-5)9(11(13,14)15)7(4-16-8)10(17)18/h1-4H,(H,17,18)
InChI Key:
IRIXLRGKDQKZJA-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(c(cn2)C(=O)O)C(F)(F)F
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.026g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.16g/mol
Monoisotopic Mass:
259.026g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties