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Home > Aldehydes > 135733-34-5
135733-34-5 | 1,2,5-Oxadiazole-3-carboxaldehyde, 4-phenyl-, 2-oxide
CAS No: 135733-34-5 Catalog No: AG007NJC MDL No:
Product Description
Catalog Number:
AG007NJC
Chemical Name:
1,2,5-Oxadiazole-3-carboxaldehyde, 4-phenyl-, 2-oxide
CAS Number:
135733-34-5
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
IUPAC Name:
2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-carbaldehyde
InChI:
InChI=1S/C9H6N2O3/c12-6-8-9(10-14-11(8)13)7-4-2-1-3-5-7/h1-6H
InChI Key:
MNNADPGXJASGIU-UHFFFAOYSA-N
SMILES:
O=Cc1[n+]([O-])onc1c1ccccc1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.158g/mol
Monoisotopic Mass:
190.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Massive screening yields novel and selective Trypanosoma cruzi triosephosphate isomerase dimer-interface-irreversible inhibitors with anti-trypanosomal activity. | European journal of medicinal chemistry 20101201 |
| Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis. | Journal of medicinal chemistry 20091022 |
| Furoxan derivatives as cytotoxic agents: preliminary in vivo antitumoral activity studies. | Die Pharmazie 20060101 |
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