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1264213-27-5 | 6-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-
CAS No: 1264213-27-5 Catalog No: AG000SRM MDL No:
Product Description
Catalog Number:
AG000SRM
Chemical Name:
6-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-
CAS Number:
1264213-27-5
Molecular Formula:
C11H6F3NO3
Molecular Weight:
257.1654
IUPAC Name:
4-oxo-8-(trifluoromethyl)-1H-quinoline-6-carboxylic acid
InChI:
InChI=1S/C11H6F3NO3/c12-11(13,14)7-4-5(10(17)18)3-6-8(16)1-2-15-9(6)7/h1-4H,(H,15,16)(H,17,18)
InChI Key:
UXCSZHFXPZGNKB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c2c(c1)c(O)ccn2)C(F)(F)F
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.168g/mol
Monoisotopic Mass:
257.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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