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19271-18-2 | 2-Quinolinecarboxylic acid, 8-chloro-1,4-dihydro-4-oxo-, methyl ester
CAS No: 19271-18-2 Catalog No: AG002G9E MDL No:
Product Description
Catalog Number:
AG002G9E
Chemical Name:
2-Quinolinecarboxylic acid, 8-chloro-1,4-dihydro-4-oxo-, methyl ester
CAS Number:
19271-18-2
Molecular Formula:
C11H8ClNO3
Molecular Weight:
237.6391
IUPAC Name:
methyl 8-chloro-4-oxo-1H-quinoline-2-carboxylate
InChI:
InChI=1S/C11H8ClNO3/c1-16-11(15)8-5-9(14)6-3-2-4-7(12)10(6)13-8/h2-5H,1H3,(H,13,14)
InChI Key:
XFZKOZSDFPFCAF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(=O)c2c([nH]1)c(Cl)ccc2
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.019g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.639g/mol
Monoisotopic Mass:
237.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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