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121659-70-9 | 3-Quinolinecarboxylic acid, 4-(4-fluorophenyl)-2-methyl-, ethyl ester
CAS No: 121659-70-9 Catalog No: AG0015HT MDL No:
Product Description
Catalog Number:
AG0015HT
Chemical Name:
3-Quinolinecarboxylic acid, 4-(4-fluorophenyl)-2-methyl-, ethyl ester
CAS Number:
121659-70-9
Molecular Formula:
C19H16FNO2
Molecular Weight:
309.3342
IUPAC Name:
ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate
InChI:
InChI=1S/C19H16FNO2/c1-3-23-19(22)17-12(2)21-16-7-5-4-6-15(16)18(17)13-8-10-14(20)11-9-13/h4-11H,3H2,1-2H3
InChI Key:
CMMBRYZVMWVLDT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)nc2c(c1c1ccc(cc1)F)cccc2
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.117g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.34g/mol
Monoisotopic Mass:
309.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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