Cas no 26537-62-2 (1,2,3-Oxadiazolium,5-hydroxy-3-[3-(trifluoromethyl)phenyl]-, inner salt)
![1,2,3-Oxadiazolium,5-hydroxy-3-[3-(trifluoromethyl)phenyl]-, inner salt structure](https://ossimg.kuujia.com/scimg/27000/26537-62-2x500.png)
26537-62-2 structure
Product Name:1,2,3-Oxadiazolium,5-hydroxy-3-[3-(trifluoromethyl)phenyl]-, inner salt
CAS No:26537-62-2
MF:C9H5F3N2O2
MW:230.143412351608
CID:270760
PubChem ID:599044
Update Time:2025-04-19
1,2,3-Oxadiazolium,5-hydroxy-3-[3-(trifluoromethyl)phenyl]-, inner salt Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Oxadiazolium,5-hydroxy-3-[3-(trifluoromethyl)phenyl]-, inner salt
- 3-[3-(trifluoromethyl)phenyl]oxadiazol-3-ium-5-olate
- NSC63252
- Sydnone, 3-[3-(trifluoromethyl)phenyl]-
- 26537-62-2
- Sydnone,.alpha.,.alpha.-trifluoro-m-tolyl)-
- DTXSID10344725
- NSC-63252
-
- Inchi： 1S/C9H5F3N2O2/c10-9(11,12)6-2-1-3-7(4-6)14-5-8(15)16-13-14/h1-5H
- InChI Key： JJYUHHXTXJWKHP-UHFFFAOYSA-N
- SMILES： FC(C1C=CC=C(C=1)[N+]1C=C([O-])ON=1)(F)F
Computed Properties
- Exact Mass: 231.03818
- Monoisotopic Mass: 230.03
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 249
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 53?2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 41.34
1,2,3-Oxadiazolium,5-hydroxy-3-[3-(trifluoromethyl)phenyl]-, inner salt Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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3. Agricultural
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
26537-62-2 (1,2,3-Oxadiazolium,5-hydroxy-3-[3-(trifluoromethyl)phenyl]-, inner salt) Related Products
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