Cas no 127108-51-4 (Pyridine,4-chloro-3-fluoro-, 1-oxide)
127108-51-4 structure
Product Name:Pyridine,4-chloro-3-fluoro-, 1-oxide
CAS No:127108-51-4
MF:C5H3ClFNO
MW:147.534823656082
CID:103242
PubChem ID:21569853
Update Time:2025-04-18
Pyridine,4-chloro-3-fluoro-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- Pyridine,4-chloro-3-fluoro-, 1-oxide
- 4-chloro-3-fluoro-pyridine 1-oxide
- Pyridine, 4-chloro-3-fluoro-, 1-oxide (9CI)
- 4-chloro-3-fluoro-1-oxidopyridin-1-ium
- SCHEMBL316558
- 4-Chloro-3-fluoropyridine 1-oxide
- NOUWIWISPLZJHT-UHFFFAOYSA-N
- 127108-51-4
- 4-chloro-3-fluoropyridine N-oxide
-
- Inchi： 1S/C5H3ClFNO/c6-4-1-2-8(9)3-5(4)7/h1-3H
- InChI Key： NOUWIWISPLZJHT-UHFFFAOYSA-N
- SMILES： ClC1C=C[N+](=CC=1F)[O-]
Computed Properties
- Exact Mass: 146.98879
- Monoisotopic Mass: 146.9887196g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 103
- 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: 0.6
- Topological Polar Surface Area: 25.5?2
Experimental Properties
- PSA: 26.94
Pyridine,4-chloro-3-fluoro-, 1-oxide Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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