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18060-41-8 | 4-Quinolinecarboxylic acid, 2-(4-fluorophenyl)-6-methoxy-
CAS No: 18060-41-8 Catalog No: AG00225Y MDL No:MFCD02744962
Product Description
Catalog Number:
AG00225Y
Chemical Name:
4-Quinolinecarboxylic acid, 2-(4-fluorophenyl)-6-methoxy-
CAS Number:
18060-41-8
Molecular Formula:
C17H12FNO3
Molecular Weight:
297.2805
MDL Number:
MFCD02744962
IUPAC Name:
2-(4-fluorophenyl)-6-methoxyquinoline-4-carboxylic acid
InChI:
InChI=1S/C17H12FNO3/c1-22-12-6-7-15-13(8-12)14(17(20)21)9-16(19-15)10-2-4-11(18)5-3-10/h2-9H,1H3,(H,20,21)
InChI Key:
ALPKHODHHOVLRR-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(cc(n2)c1ccc(cc1)F)C(=O)O
NSC Number:
142527
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.285g/mol
Monoisotopic Mass:
297.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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