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Home Carboxys ethyl 6,7,8-trifluoro-1-(methylamino)-4-oxo-1,4-dihydroquinoline-3-carboxylate

ethyl 6,7,8-trifluoro-1-(methylamino)-4-oxo-1,4-dihydroquinoline-3-carboxylate

CAS No.:
100276-66-2
Catalog Number:
AG01DJEK
Molecular Formula:
C13H11F3N2O3
Molecular Weight:
300.2332
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Product Description
Catalog Number:
AG01DJEK
Chemical Name:
ethyl 6,7,8-trifluoro-1-(methylamino)-4-oxo-1,4-dihydroquinoline-3-carboxylate
CAS Number:
100276-66-2
Molecular Formula:
C13H11F3N2O3
Molecular Weight:
300.2332
MDL Number:
MFCD31652412
IUPAC Name:
ethyl 6,7,8-trifluoro-1-(methylamino)-4-oxoquinoline-3-carboxylate
InChI:
InChI=1S/C13H11F3N2O3/c1-3-21-13(20)7-5-18(17-2)11-6(12(7)19)4-8(14)9(15)10(11)16/h4-5,17H,3H2,1-2H3
InChI Key:
TYLIDSWDHUJJNT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(NC)c2c(c1=O)cc(c(c2F)F)F
Properties
Complexity:
472  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.072g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
300.237g/mol
Monoisotopic Mass:
300.072g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties