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Home > Nitro Compounds > 89267-27-6
89267-27-6 | 4-Quinolinecarboxamide, 6-ethoxy-5-nitro-
CAS No: 89267-27-6 Catalog No: AG0041JY MDL No:
Product Description
Catalog Number:
AG0041JY
Chemical Name:
4-Quinolinecarboxamide, 6-ethoxy-5-nitro-
CAS Number:
89267-27-6
Molecular Formula:
C12H11N3O4
Molecular Weight:
261.2334
IUPAC Name:
6-ethoxy-5-nitroquinoline-4-carboxamide
InChI:
InChI=1S/C12H11N3O4/c1-2-19-9-4-3-8-10(11(9)15(17)18)7(12(13)16)5-6-14-8/h3-6H,2H2,1H3,(H2,13,16)
InChI Key:
MFAXMHPRWPXPDH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(OCC)ccc2c1c(ccn2)C(=O)N
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.237g/mol
Monoisotopic Mass:
261.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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