Cas no 20600-68-4 ( )
structure
Product Name:
CAS No:20600-68-4
MF:C12H8N2O2
MW:212.204122543335
CID:910112
PubChem ID:581546
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 3-naphthalen-2-yloxadiazol-3-ium-5-olate
- 3-[2]Naphthyl-sydnon
- 3-[2]naphthyl-sydnone
- 3-< 2> Naphthyl-sydnon
- 3-< Naphthyl-(2)> -sydnon
- 3-naphthalen-2-yl-sydnone
- AC1LBEZ9
- NSC39325
- SureCN5471468
- Sydnone, 3-(2-naphthyl)-
- DTXSID10342423
- N-(2-naphthyl)sydnone
- NSC-39325
- SCHEMBL5471468
- 20600-68-4
-
-
- Inchi： 1S/C12H8N2O2/c15-12-8-14(13-16-12)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
- InChI Key： ZKDMASAOLMIRQV-UHFFFAOYSA-N
- SMILES： O1C(=C[N+](C2=CC=C3C=CC=CC3=C2)=N1)[O-]
Computed Properties
- Exact Mass: 213.06647
- Monoisotopic Mass: 212.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- 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: 4.1
- Topological Polar Surface Area: 53?2
Experimental Properties
- PSA: 41.34
- LogP: 2.24830
Related Literature
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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