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130048-08-7 | 3-Quinolinecarboxylic acid, 2-chloro-4-(4-fluorophenyl)-, ethyl ester
CAS No: 130048-08-7 Catalog No: AG000TYJ MDL No:
Product Description
Catalog Number:
AG000TYJ
Chemical Name:
3-Quinolinecarboxylic acid, 2-chloro-4-(4-fluorophenyl)-, ethyl ester
CAS Number:
130048-08-7
Molecular Formula:
C18H13ClFNO2
Molecular Weight:
329.7527
IUPAC Name:
ethyl 2-chloro-4-(4-fluorophenyl)quinoline-3-carboxylate
InChI:
InChI=1S/C18H13ClFNO2/c1-2-23-18(22)16-15(11-7-9-12(20)10-8-11)13-5-3-4-6-14(13)21-17(16)19/h3-10H,2H2,1H3
InChI Key:
CTYKESKGGABODQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(Cl)nc2c(c1c1ccc(cc1)F)cccc2
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.062g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.755g/mol
Monoisotopic Mass:
329.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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