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199179-57-2 | 4-Quinolinecarboxylic acid, 6-chloro-1,2-dihydro-2-oxo-, ethyl ester
CAS No: 199179-57-2 Catalog No: AG002BXT MDL No:MFCD23701701
Product Description
Catalog Number:
AG002BXT
Chemical Name:
4-Quinolinecarboxylic acid, 6-chloro-1,2-dihydro-2-oxo-, ethyl ester
CAS Number:
199179-57-2
Molecular Formula:
C12H10ClNO3
Molecular Weight:
251.6657
MDL Number:
MFCD23701701
IUPAC Name:
ethyl 6-chloro-2-oxo-1H-quinoline-4-carboxylate
InChI:
InChI=1S/C12H10ClNO3/c1-2-17-12(16)9-6-11(15)14-10-4-3-7(13)5-8(9)10/h3-6H,2H2,1H3,(H,14,15)
InChI Key:
OVRRFKMDYPFRBX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(=O)[nH]c2c1cc(Cl)cc2
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.666g/mol
Monoisotopic Mass:
251.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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