Cas no 1196146-91-4 (2-ethynyl-5-nitropyrimidine)
2-ethynyl-5-nitropyrimidine structure
Product Name:2-ethynyl-5-nitropyrimidine
CAS No:1196146-91-4
MF:C6H3N3O2
MW:149.106920480728
CID:2616397
PubChem ID:72212462
Update Time:2025-04-21
2-ethynyl-5-nitropyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 2-ethynyl-5-nitropyrimidine
- AB69149
- 1196146-91-4
-
- Inchi： 1S/C6H3N3O2/c1-2-6-7-3-5(4-8-6)9(10)11/h1,3-4H
- InChI Key： TUXIPDHSFRHIKY-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CN=C(C#C)N=C1)=O
Computed Properties
- Exact Mass: 149.022526347Da
- Monoisotopic Mass: 149.022526347Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 194
- 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: 0.3
- Topological Polar Surface Area: 71.6?2
2-ethynyl-5-nitropyrimidine Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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