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25912-23-6 | Ethanone, 2-hydroxy-2-[(8-hydroxy-7-quinolinyl)amino]-1-(4-nitrophenyl)-
CAS No: 25912-23-6 Catalog No: AG002R0U MDL No:
Product Description
Catalog Number:
AG002R0U
Chemical Name:
Ethanone, 2-hydroxy-2-[(8-hydroxy-7-quinolinyl)amino]-1-(4-nitrophenyl)-
CAS Number:
25912-23-6
Molecular Formula:
C17H13N3O5
Molecular Weight:
339.3022
IUPAC Name:
2-hydroxy-2-[(8-hydroxyquinolin-7-yl)amino]-1-(4-nitrophenyl)ethanone
InChI:
InChI=1S/C17H13N3O5/c21-15(11-3-6-12(7-4-11)20(24)25)17(23)19-13-8-5-10-2-1-9-18-14(10)16(13)22/h1-9,17,19,22-23H
InChI Key:
NFQDUEXUKGEWCW-UHFFFAOYSA-N
SMILES:
O=C(C(Nc1ccc2c(c1O)nccc2)O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.086g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
339.307g/mol
Monoisotopic Mass:
339.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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