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157848-08-3 | 2-Quinolinecarboxylic acid, 5,7-dichloro-4-hydroxy-, ethyl ester
CAS No: 157848-08-3 Catalog No: AG001PR1 MDL No:
Product Description
Catalog Number:
AG001PR1
Chemical Name:
2-Quinolinecarboxylic acid, 5,7-dichloro-4-hydroxy-, ethyl ester
CAS Number:
157848-08-3
Molecular Formula:
C12H9Cl2NO3
Molecular Weight:
286.1108
IUPAC Name:
ethyl 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylate
InChI:
InChI=1S/C12H9Cl2NO3/c1-2-18-12(17)9-5-10(16)11-7(14)3-6(13)4-8(11)15-9/h3-5H,2H2,1H3,(H,15,16)
InChI Key:
PAWVWSJNXBGMBO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(O)c2c(n1)cc(cc2Cl)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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