Cas no 61578-13-0 (Pyrazine, 2,3-diphenyl-, 1-oxide)
61578-13-0 structure
Product Name:Pyrazine, 2,3-diphenyl-, 1-oxide
CAS No:61578-13-0
MF:C16H12N2O
MW:248.27928352356
CID:474165
PubChem ID:12342725
Update Time:2025-04-19
Pyrazine, 2,3-diphenyl-, 1-oxide Chemical and Physical Properties
Names and Identifiers
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- Pyrazine, 2,3-diphenyl-, 1-oxide
- 1-oxido-2,3-diphenylpyrazin-1-ium
- DTXSID90492253
- 61578-13-0
- 1-Oxo-2,3-diphenyl-1lambda~5~-pyrazine
-
- Inchi: 1S/C16H12N2O/c19-18-12-11-17-15(13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14/h1-12H
- InChI Key: JCYPEUTXZNHTSE-UHFFFAOYSA-N
- SMILES: [O-][N+]1C=CN=C(C2C=CC=CC=2)C=1C1C=CC=CC=1
Computed Properties
- Exact Mass: 248.09506
- Monoisotopic Mass: 248.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 272
- 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: 2.1
- Topological Polar Surface Area: 38.4?2
Experimental Properties
- PSA: 39.83
Pyrazine, 2,3-diphenyl-, 1-oxide Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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