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148018-34-2 | 6-Quinolinecarboxylic acid, 4-chloro-, ethyl ester
CAS No: 148018-34-2 Catalog No: AG001FDB MDL No:MFCD16250588
Product Description
Catalog Number:
AG001FDB
Chemical Name:
6-Quinolinecarboxylic acid, 4-chloro-, ethyl ester
CAS Number:
148018-34-2
Molecular Formula:
C12H10ClNO2
Molecular Weight:
235.6663
MDL Number:
MFCD16250588
IUPAC Name:
ethyl 4-chloroquinoline-6-carboxylate
InChI:
InChI=1S/C12H10ClNO2/c1-2-16-12(15)8-3-4-11-9(7-8)10(13)5-6-14-11/h3-7H,2H2,1H3
InChI Key:
CAYFWSPVKHFLJV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)c(Cl)ccn2
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:
3.3
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