Cas no 2460492-73-1 (5-fluoropyrazin-2(1H)-one-3,6-d2)
2460492-73-1 structure
Product Name:5-fluoropyrazin-2(1H)-one-3,6-d2
CAS No:2460492-73-1
MF:C4H3FN2O
MW:116.090147256851
CID:6825246
PubChem ID:172403366
Update Time:2025-02-28
5-fluoropyrazin-2(1H)-one-3,6-d2 Chemical and Physical Properties
Names and Identifiers
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- 5-fluoropyrazin-2(1H)-one-3,6-d2
- 2460492-73-1
- CS-23353
-
- Inchi: 1S/C4H3FN2O/c5-3-1-7-4(8)2-6-3/h1-2H,(H,7,8)/i1D,2D
- InChI Key: FQODCEGFPWHSGX-QDNHWIQGSA-N
- SMILES: FC1=C([2H])NC(C([2H])=N1)=O
Computed Properties
- Exact Mass: 116.03549438Da
- Monoisotopic Mass: 116.03549438Da
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 173
- 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: -0.4
- Topological Polar Surface Area: 41.5?2
5-fluoropyrazin-2(1H)-one-3,6-d2 Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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