3-(4-Nitrophenyl)-1,2,5-oxadiazole - CAS 58749-72-7
Catalog: |
BB030149 |
Product Name: |
3-(4-Nitrophenyl)-1,2,5-oxadiazole |
CAS: |
58749-72-7 |
Synonyms: |
3-(4-nitrophenyl)-1,2,5-oxadiazole; 3-(4-nitrophenyl)-1,2,5-oxadiazole |
IUPAC Name: | 3-(4-nitrophenyl)-1,2,5-oxadiazole |
Description: | 3-(4-Nitrophenyl)-1,2,5-oxadiazole (CAS# 58749-72-7 ) is a useful research chemical. |
Molecular Weight: | 191.14 |
Molecular Formula: | C8H5N3O3 |
Canonical SMILES: | C1=CC(=CC=C1C2=NON=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C8H5N3O3/c12-11(13)7-3-1-6(2-4-7)8-5-9-14-10-8/h1-5H |
InChI Key: | XIPJDGNMENQNRS-UHFFFAOYSA-N |
LogP: | 2.16800 |
Publication Number | Title | Priority Date |
EP-2729806-A1 | Uses of labeled hsp90 inhibitors | 20110708 |
EP-2729806-B1 | Uses of labeled hsp90 inhibitors | 20110708 |
EP-3208615-A2 | Uses of labeled hsp90 inhibitors | 20110708 |
EP-3208615-B1 | Uses of labeled hsp90 inhibitors | 20110708 |
US-2014242602-A1 | Uses of labeled hsp90 inhibitors | 20110708 |
PMID | Publication Date | Title | Journal |
22888494 | 20121007 | Development of a pH-activatable fluorescent probe and its application for visualizing cellular pH change | The Analyst |
21802945 | 20110915 | Synthesis of purine-scaffold fluorescent probes for heat shock protein 90 with use in flow cytometry and fluorescence microscopy | Bioorganic & medicinal chemistry letters |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.03309103 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.03309103 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 84.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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