Home Carboxys 5-Quinolinecarboxylic acid, 8-methoxy-2-(trifluoromethyl)-

5-Quinolinecarboxylic acid, 8-methoxy-2-(trifluoromethyl)-

CAS No.:
199872-29-2
Catalog Number:
AG002CF0
Molecular Formula:
C12H8F3NO3
Molecular Weight:
271.1920
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Product Description
Catalog Number:
AG002CF0
Chemical Name:
5-Quinolinecarboxylic acid, 8-methoxy-2-(trifluoromethyl)-
CAS Number:
199872-29-2
Molecular Formula:
C12H8F3NO3
Molecular Weight:
271.1920
MDL Number:
MFCD20272020
IUPAC Name:
8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid
InChI:
InChI=1S/C12H8F3NO3/c1-19-8-4-2-7(11(17)18)6-3-5-9(12(13,14)15)16-10(6)8/h2-5H,1H3,(H,17,18)
InChI Key:
WSFPCQOJBVMWEE-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1nc(cc2)C(F)(F)F)C(=O)O
Properties
Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.046g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
271.195g/mol
Monoisotopic Mass:
271.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties