Name: Name:3-Quinolinecarbonitrile, 7-ethoxy-4-hydroxy-6-nitro-
Brand: Angene
SKU: AG007QF7
Rating: 90 (10 reviews)

3-Quinolinecarbonitrile, 7-ethoxy-4-hydroxy-6-nitro-

CAS No.:

214476-08-1

Catalog Number:

AG007QF7

Molecular Formula:

C12H9N3O4

Molecular Weight:

259.2176

Catalog Number:

AG007QF7

Chemical Name:

3-Quinolinecarbonitrile, 7-ethoxy-4-hydroxy-6-nitro-

CAS Number:

214476-08-1

Molecular Formula:

C12H9N3O4

Molecular Weight:

259.2176

MDL Number:

MFCD13181132

IUPAC Name:

7-ethoxy-6-nitro-4-oxo-1H-quinoline-3-carbonitrile

InChI:

InChI=1S/C12H9N3O4/c1-2-19-11-4-9-8(3-10(11)15(17)18)12(16)7(5-13)6-14-9/h3-4,6H,2H2,1H3,(H,14,16)

InChI Key:

YWXULSPHZDNVAN-UHFFFAOYSA-N

SMILES:

CCOc1cc2ncc(c(c2cc1[N+](=O)[O-])O)C#N

Complexity:

473

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.221g/mol

Monoisotopic Mass:

259.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7