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116529-90-9 | 2-Quinolinecarboxylic acid, 7-chloro-, ethyl ester
CAS No: 116529-90-9 Catalog No: AG000CPD MDL No:
Product Description
Catalog Number:
AG000CPD
Chemical Name:
2-Quinolinecarboxylic acid, 7-chloro-, ethyl ester
CAS Number:
116529-90-9
Molecular Formula:
C12H10ClNO2
Molecular Weight:
235.6663
IUPAC Name:
ethyl 7-chloroquinoline-2-carboxylate
InChI:
InChI=1S/C12H10ClNO2/c1-2-16-12(15)10-6-4-8-3-5-9(13)7-11(8)14-10/h3-7H,2H2,1H3
InChI Key:
DTHLOZLLCPGOOR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(n1)cc(cc2)Cl
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:
3.4
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