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126855-84-3 | 3-Quinolinecarboxylic acid, 4-hydroxy-6-methyl-2-(trifluoromethyl)-
CAS No: 126855-84-3 Catalog No: AG000TDH MDL No:
Product Description
Catalog Number:
AG000TDH
Chemical Name:
3-Quinolinecarboxylic acid, 4-hydroxy-6-methyl-2-(trifluoromethyl)-
CAS Number:
126855-84-3
Molecular Formula:
C12H8F3NO3
Molecular Weight:
271.1920
IUPAC Name:
6-methyl-4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C12H8F3NO3/c1-5-2-3-7-6(4-5)9(17)8(11(18)19)10(16-7)12(13,14)15/h2-4H,1H3,(H,16,17)(H,18,19)
InChI Key:
ZCSIRXOFPIPMPR-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(O)c(c(n2)C(F)(F)F)C(=O)O
Properties
Complexity:
456
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:
2
Isotope Atom Count:
0
Molecular Weight:
271.195g/mol
Monoisotopic Mass:
271.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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