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18060-42-9 | 4-Quinolinecarboxylic acid, 6-fluoro-2-(4-methylphenyl)-
CAS No: 18060-42-9 Catalog No: AG00225X MDL No:
Product Description
Catalog Number:
AG00225X
Chemical Name:
4-Quinolinecarboxylic acid, 6-fluoro-2-(4-methylphenyl)-
CAS Number:
18060-42-9
Molecular Formula:
C17H12FNO2
Molecular Weight:
281.2811
IUPAC Name:
6-fluoro-2-(4-methylphenyl)quinoline-4-carboxylic acid
InChI:
InChI=1S/C17H12FNO2/c1-10-2-4-11(5-3-10)16-9-14(17(20)21)13-8-12(18)6-7-15(13)19-16/h2-9H,1H3,(H,20,21)
InChI Key:
DKRAFRHHWPPQBZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)O)F
NSC Number:
142528
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.286g/mol
Monoisotopic Mass:
281.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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