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248282-10-2 | 3-Quinolinecarboxylic acid, 5-chloro-1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ethyl ester
CAS No: 248282-10-2 Catalog No: AG002PL5 MDL No:
Product Description
Catalog Number:
AG002PL5
Chemical Name:
3-Quinolinecarboxylic acid, 5-chloro-1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ethyl ester
CAS Number:
248282-10-2
Molecular Formula:
C13H12ClNO4
Molecular Weight:
281.6917
IUPAC Name:
ethyl 5-chloro-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
InChI:
InChI=1S/C13H12ClNO4/c1-3-19-13(18)10-11(16)9-7(14)5-4-6-8(9)15(2)12(10)17/h4-6,16H,3H2,1-2H3
InChI Key:
POQZLXDTXDVHMY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(O)c2c(Cl)cccc2n(c1=O)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.045g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.692g/mol
Monoisotopic Mass:
281.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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