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Home > Nitro Compounds > 794-44-5
794-44-5 | 2-(2-(5-NITRO-2-FURYL)VINYL)QUINOLINE 1-OXIDE
CAS No: 794-44-5 Catalog No: AG0051UJ MDL No:
Product Description
Catalog Number:
AG0051UJ
Chemical Name:
2-(2-(5-NITRO-2-FURYL)VINYL)QUINOLINE 1-OXIDE
CAS Number:
794-44-5
Molecular Formula:
C15H10N2O4
Molecular Weight:
282.2509
IUPAC Name:
2-[2-(5-nitrofuran-2-yl)ethenyl]-1-oxidoquinolin-1-ium
InChI:
InChI=1S/C15H10N2O4/c18-16-12(6-5-11-3-1-2-4-14(11)16)7-8-13-9-10-15(21-13)17(19)20/h1-10H
InChI Key:
GXSWRHMJLQSDGW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)C=Cc1ccc2c([n+]1[O-])cccc2
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.255g/mol
Monoisotopic Mass:
282.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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