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122224-58-2 | 3-Quinolinecarboxylic acid, 6,7-dichloro-1,4-dihydro-4-oxo-, ethyl ester
CAS No: 122224-58-2 Catalog No: AG0016YO MDL No:
Product Description
Catalog Number:
AG0016YO
Chemical Name:
3-Quinolinecarboxylic acid, 6,7-dichloro-1,4-dihydro-4-oxo-, ethyl ester
CAS Number:
122224-58-2
Molecular Formula:
C12H9Cl2NO3
Molecular Weight:
286.1108
IUPAC Name:
ethyl 6,7-dichloro-4-oxo-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C12H9Cl2NO3/c1-2-18-12(17)7-5-15-10-4-9(14)8(13)3-6(10)11(7)16/h3-5H,2H2,1H3,(H,15,16)
InChI Key:
PMGNGTDFPXCYNP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]c2c(c1=O)cc(c(c2)Cl)Cl
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.996g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.108g/mol
Monoisotopic Mass:
284.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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