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Home Carboxys 4-Chloro-8-(trifluoromethyl)quinoline-3-carboxylic ethyl ester

4-Chloro-8-(trifluoromethyl)quinoline-3-carboxylic ethyl ester

CAS No.:
31602-11-6
Catalog Number:
AG00C76J
Molecular Formula:
C13H9ClF3NO2
Molecular Weight:
303.6643
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$61
- +
250mg
In Stock USA
United States
$110
- +
500mg
In Stock USA
United States
$165
- +
1g
95%
In Stock USA
United States
$219
- +
2.5g
In Stock USA
United States
$422
- +
5g
In Stock USA
United States
$644
- +
10g
In Stock USA
United States
$991
- +
25g
In Stock USA
United States
$1755
- +
50g
In Stock USA
United States
$2707
- +
Product Description
Catalog Number:
AG00C76J
Chemical Name:
4-Chloro-8-(trifluoromethyl)quinoline-3-carboxylic ethyl ester
CAS Number:
31602-11-6
Molecular Formula:
C13H9ClF3NO2
Molecular Weight:
303.6643
MDL Number:
MFCD00173388
IUPAC Name:
ethyl 4-chloro-8-(trifluoromethyl)quinoline-3-carboxylate
InChI:
InChI=1S/C13H9ClF3NO2/c1-2-20-12(19)8-6-18-11-7(10(8)14)4-3-5-9(11)13(15,16)17/h3-6H,2H2,1H3
InChI Key:
CIGIGQHDHKBPAZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1Cl)cccc2C(F)(F)F
Properties
Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.027g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.665g/mol
Monoisotopic Mass:
303.027g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties