Home Carboxys Ethyl 6-fluoro-4-(trifluoromethyl)quinoline-2-carboxylate

Ethyl 6-fluoro-4-(trifluoromethyl)quinoline-2-carboxylate

CAS No.:
1116339-58-2
Catalog Number:
AG0079EJ
Molecular Formula:
C13H9F4NO2
Molecular Weight:
287.2097
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Product Description
Catalog Number:
AG0079EJ
Chemical Name:
Ethyl 6-fluoro-4-(trifluoromethyl)quinoline-2-carboxylate
CAS Number:
1116339-58-2
Molecular Formula:
C13H9F4NO2
Molecular Weight:
287.2097
MDL Number:
MFCD11046311
IUPAC Name:
ethyl 6-fluoro-4-(trifluoromethyl)quinoline-2-carboxylate
InChI:
InChI=1S/C13H9F4NO2/c1-2-20-12(19)11-6-9(13(15,16)17)8-5-7(14)3-4-10(8)18-11/h3-6H,2H2,1H3
InChI Key:
QKASHNUPMJZLQD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc2ccc(cc2c(c1)C(F)(F)F)F
Properties
Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.057g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.214g/mol
Monoisotopic Mass:
287.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties