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Home Halogens Ethyl 6-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Ethyl 6-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylate

CAS No.:
79607-22-0
Catalog Number:
AG008LVW
Molecular Formula:
C12H10ClNO3
Molecular Weight:
251.6657
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$438
- +
1g
98%
In Stock USA
United States
$1075
- +
5g
98%
In Stock USA
United States
$3775
- +
Product Description
Catalog Number:
AG008LVW
Chemical Name:
Ethyl 6-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylate
CAS Number:
79607-22-0
Molecular Formula:
C12H10ClNO3
Molecular Weight:
251.6657
MDL Number:
MFCD01847816
IUPAC Name:
ethyl 6-chloro-4-oxo-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C12H10ClNO3/c1-2-17-12(16)9-6-14-10-4-3-7(13)5-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)
InChI Key:
ABZXBXREXPKTCN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]c2c(c1=O)cc(cc2)Cl
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:
4  
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:
2.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Synthesis, antiviral activity and molecular modeling of oxoquinoline derivatives. Bioorganic & medicinal chemistry 20090801
Properties