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100501-62-0,MFCD00276022
Catalog No.:AA00023B
100501-62-0 | 3-Quinolinecarboxylic acid, 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-, ethyl ester
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$15.00
- +
5g
97%
in stock  
$40.00
- +
25g
97%
in stock  
$140.00
- +
100g
97%
in stock  
$467.00
- +
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Technical Information
Catalog Number:
AA00023B
Chemical Name:
3-Quinolinecarboxylic acid, 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-, ethyl ester
CAS Number:
100501-62-0
Molecular Formula:
C14H12F3NO3
Molecular Weight:
299.2452
MDL Number:
MFCD00276022
IUPAC Name:
ethyl 1-ethyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
InChI:
InChI=1S/C14H12F3NO3/c1-3-18-6-8(14(20)21-4-2)13(19)7-5-9(15)10(16)11(17)12(7)18/h5-6H,3-4H2,1-2H3
InChI Key:
LWLLHOVWIFISMG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(CC)c2c(c1=O)cc(c(c2F)F)F
EC Number:
405-880-3
Properties
Computed Properties
 
Complexity:
468  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.077g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.249g/mol
Monoisotopic Mass:
299.077g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Literature
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