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116557-07-4 | 4-Quinolinecarboxylic acid, 5-chloro-, ethyl ester
CAS No: 116557-07-4 Catalog No: AG000CS9 MDL No:
Product Description
Catalog Number:
AG000CS9
Chemical Name:
4-Quinolinecarboxylic acid, 5-chloro-, ethyl ester
CAS Number:
116557-07-4
Molecular Formula:
C12H10ClNO2
Molecular Weight:
235.6663
IUPAC Name:
ethyl 5-chloroquinoline-4-carboxylate
InChI:
InChI=1S/C12H10ClNO2/c1-2-16-12(15)8-6-7-14-10-5-3-4-9(13)11(8)10/h3-7H,2H2,1H3
InChI Key:
XTIMPIPJUPHBID-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccnc2c1c(Cl)ccc2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.667g/mol
Monoisotopic Mass:
235.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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