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Home Halogens Ethyl 5-chloro-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate

Ethyl 5-chloro-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate

CAS No.:
351893-52-2
Catalog Number:
AG003QCJ
Molecular Formula:
C13H12ClNO3
Molecular Weight:
265.6923
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$50
- +
5g
95%
In Stock USA
United States
$150
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25g
95%
In Stock USA
United States
$300
- +
100g
95%
In Stock USA
United States
$750
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Product Description
Catalog Number:
AG003QCJ
Chemical Name:
Ethyl 5-chloro-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
CAS Number:
351893-52-2
Molecular Formula:
C13H12ClNO3
Molecular Weight:
265.6923
MDL Number:
MFCD00844842
IUPAC Name:
ethyl 5-chloro-8-methyl-4-oxo-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C13H12ClNO3/c1-3-18-13(17)8-6-15-11-7(2)4-5-9(14)10(11)12(8)16/h4-6H,3H2,1-2H3,(H,15,16)
InChI Key:
WTKGYGUNJMKMLV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]c2c(c1=O)c(Cl)ccc2C
Properties
Complexity:
394  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.051g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.693g/mol
Monoisotopic Mass:
265.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties