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Ethyl 4-hydroxy-8-trifluoromethylquinoline-3-carboxylate

CAS No.:
23851-84-5
Catalog Number:
AG003QAZ
Molecular Formula:
C13H10F3NO3
Molecular Weight:
285.2186
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$44
- +
10g
98%
In Stock USA
United States
$69
- +
25g
98%
In Stock USA
United States
$137
- +
100g
98%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG003QAZ
Chemical Name:
Ethyl 4-hydroxy-8-trifluoromethylquinoline-3-carboxylate
CAS Number:
23851-84-5
Molecular Formula:
C13H10F3NO3
Molecular Weight:
285.2186
MDL Number:
MFCD00173387
IUPAC Name:
ethyl 4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C13H10F3NO3/c1-2-20-12(19)8-6-17-10-7(11(8)18)4-3-5-9(10)13(14,15)16/h3-6H,2H2,1H3,(H,17,18)
InChI Key:
XSNJFNKOHAUNPO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1O)cccc2C(F)(F)F
EC Number:
245-914-2
NSC Number:
103777
Properties
Complexity:
445  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.061g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
285.222g/mol
Monoisotopic Mass:
285.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
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
Rational design and evaluation of new lead compound structures for selective betaARK1 inhibitors. Journal of medicinal chemistry 20020523
Properties