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Home > Nitro Compounds > 89898-96-4
89898-96-4 | 2(1H)-Quinoxalinone, 7-nitro-
CAS No: 89898-96-4 Catalog No: AG00IFVM MDL No:MFCD09999191
Product Description
Catalog Number:
AG00IFVM
Chemical Name:
2(1H)-Quinoxalinone, 7-nitro-
CAS Number:
89898-96-4
Molecular Formula:
C8H5N3O3
Molecular Weight:
191.1436
MDL Number:
MFCD09999191
IUPAC Name:
7-nitro-1H-quinoxalin-2-one
InChI:
InChI=1S/C8H5N3O3/c12-8-4-9-6-2-1-5(11(13)14)3-7(6)10-8/h1-4H,(H,10,12)
InChI Key:
CPIFPSDSDMLFMK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)[nH]c(=O)cn2
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.146g/mol
Monoisotopic Mass:
191.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Discovery of nitroheterocycles active against African trypanosomes. In vitro screening and preliminary SAR studies. | Bioorganic & medicinal chemistry letters 20120715 |
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