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Home Carboxys 4-Chloro-2-methyl-3-(3-oxobutyl)quinoline-6-carboxylic acid

4-Chloro-2-methyl-3-(3-oxobutyl)quinoline-6-carboxylic acid

CAS No.:
36164-39-3
Catalog Number:
AG007B7Y
Molecular Formula:
C15H14ClNO3
Molecular Weight:
291.7296
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG007B7Y
Chemical Name:
4-Chloro-2-methyl-3-(3-oxobutyl)quinoline-6-carboxylic acid
CAS Number:
36164-39-3
Molecular Formula:
C15H14ClNO3
Molecular Weight:
291.7296
MDL Number:
MFCD01143175
IUPAC Name:
4-chloro-2-methyl-3-(3-oxobutyl)quinoline-6-carboxylic acid
InChI:
InChI=1S/C15H14ClNO3/c1-8(18)3-5-11-9(2)17-13-6-4-10(15(19)20)7-12(13)14(11)16/h4,6-7H,3,5H2,1-2H3,(H,19,20)
InChI Key:
CRIDWQRCAMWXSF-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1c(C)nc2c(c1Cl)cc(cc2)C(=O)O
Properties
Complexity:
387  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.066g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
291.731g/mol
Monoisotopic Mass:
291.066g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
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