Cas no 2806721-30-0 (4-bromo-6-fluoropicolinonitrile-3,5-d2)
2806721-30-0 structure
Product Name:4-bromo-6-fluoropicolinonitrile-3,5-d2
CAS No:2806721-30-0
MF:C6H2BrFN2
MW:203.00820684433
CID:6827030
PubChem ID:172403785
Update Time:2025-02-19
4-bromo-6-fluoropicolinonitrile-3,5-d2 Chemical and Physical Properties
Names and Identifiers
-
- CS-25287
- 4-bromo-6-fluoropicolinonitrile-3,5-d2
- 2806721-30-0
-
- Inchi： 1S/C6H2BrFN2/c7-4-1-5(3-9)10-6(8)2-4/h1-2H/i1D,2D
- InChI Key： NSCIYWIBWLYYLK-QDNHWIQGSA-N
- SMILES： BrC1C([2H])=C(N=C(C#N)C=1[2H])F
Computed Properties
- Exact Mass: 201.95109Da
- Monoisotopic Mass: 201.95109Da
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 164
- 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
- Topological Polar Surface Area: 36.7?2
4-bromo-6-fluoropicolinonitrile-3,5-d2 Related Literature
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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