Cas no 14605-98-2 (1,2,3-Oxadiazolium,5-hydroxy-3-(3-nitrophenyl)-, inner salt)
14605-98-2 structure
Product Name:1,2,3-Oxadiazolium,5-hydroxy-3-(3-nitrophenyl)-, inner salt
CAS No:14605-98-2
MF:C8H5N3O4
MW:207.143001317978
CID:175777
PubChem ID:4444602
Update Time:2025-04-19
1,2,3-Oxadiazolium,5-hydroxy-3-(3-nitrophenyl)-, inner salt Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Oxadiazolium,5-hydroxy-3-(3-nitrophenyl)-, inner salt
- 3-(3-nitrophenyl)oxadiazol-3-ium-5-olate
- 3-(3-nitrophenyl)-1,2,3-oxadiazol-5-ol
- 3-(3-nitro-phenyl)-sydnone
- 3-(m-Nitrophenyl)-sydnon
- AC1NBKAI
- NSC184753
- 3-m-nitrophenylsydnone
- AKOS024374841
- NSC-184753
- DTXSID70403367
- 14605-98-2
-
- Inchi： 1S/C8H5N3O4/c12-8-5-10(9-15-8)6-2-1-3-7(4-6)11(13)14/h1-5H
- InChI Key： CEDUMPWAGWHKCT-UHFFFAOYSA-N
- SMILES： O1C(=C[N+](C2C=CC=C(C=2)[N+](=O)[O-])=N1)[O-]
Computed Properties
- Exact Mass: 207.02805
- Monoisotopic Mass: 207.028
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 245
- 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
- Topological Polar Surface Area: 98.8A^2
- XLogP3: 2.6
Experimental Properties
- PSA: 96.11
- LogP: 1.52650
1,2,3-Oxadiazolium,5-hydroxy-3-(3-nitrophenyl)-, inner salt Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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