Name: Name:3-Quinolinecarboxylic acid, 4-hydroxy-6-(trifluoromethoxy)-, ethyl ester
Brand: Angene
SKU: AG0020KZ
Rating: 90 (10 reviews)

3-Quinolinecarboxylic acid, 4-hydroxy-6-(trifluoromethoxy)-, ethyl ester

CAS No.:

175203-85-7

Catalog Number:

AG0020KZ

Molecular Formula:

C13H10F3NO4

Molecular Weight:

301.2180

Catalog Number:

AG0020KZ

Chemical Name:

3-Quinolinecarboxylic acid, 4-hydroxy-6-(trifluoromethoxy)-, ethyl ester

CAS Number:

175203-85-7

Molecular Formula:

C13H10F3NO4

Molecular Weight:

301.2180

MDL Number:

MFCD00219847

IUPAC Name:

ethyl 4-oxo-6-(trifluoromethoxy)-1H-quinoline-3-carboxylate

InChI:

InChI=1S/C13H10F3NO4/c1-2-20-12(19)9-6-17-10-4-3-7(21-13(14,15)16)5-8(10)11(9)18/h3-6H,2H2,1H3,(H,17,18)

InChI Key:

FLAKCZOPSFMNJL-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cnc2c(c1O)cc(cc2)OC(F)(F)F

Complexity:

461

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

301.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.221g/mol

Monoisotopic Mass:

301.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2