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Home Halogens 6-chloro-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

6-chloro-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

CAS No.:
66176-24-7
Catalog Number:
AG019MG1
Molecular Formula:
C12H10ClNO3
Molecular Weight:
251.6657
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Product Description
Catalog Number:
AG019MG1
Chemical Name:
6-chloro-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS Number:
66176-24-7
Molecular Formula:
C12H10ClNO3
Molecular Weight:
251.6657
MDL Number:
MFCD00206329
IUPAC Name:
6-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C12H10ClNO3/c1-2-14-6-9(12(16)17)11(15)8-5-7(13)3-4-10(8)14/h3-6H,2H2,1H3,(H,16,17)
InChI Key:
YVRGGPBWRTYCDP-UHFFFAOYSA-N
SMILES:
CCn1cc(C(=O)O)c(=O)c2c1ccc(c2)Cl
Properties
Complexity:
380  
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:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.666g/mol
Monoisotopic Mass:
251.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Quinolone antimicrobial agents. 1. Versatile new synthesis of 1-alkyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids. Journal of medicinal chemistry 19780501
Properties