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1019345-40-4 | 3-Quinolinecarboxylic acid, 4-chloro-6-ethyl-, ethyl ester
CAS No: 1019345-40-4 Catalog No: AG00060B MDL No:
Product Description
Catalog Number:
AG00060B
Chemical Name:
3-Quinolinecarboxylic acid, 4-chloro-6-ethyl-, ethyl ester
CAS Number:
1019345-40-4
Molecular Formula:
C14H14ClNO2
Molecular Weight:
263.7195
IUPAC Name:
ethyl 4-chloro-6-ethylquinoline-3-carboxylate
InChI:
InChI=1S/C14H14ClNO2/c1-3-9-5-6-12-10(7-9)13(15)11(8-16-12)14(17)18-4-2/h5-8H,3-4H2,1-2H3
InChI Key:
ARIWKBVTZWASFK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1Cl)cc(cc2)CC
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.721g/mol
Monoisotopic Mass:
263.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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