Cas no 165105-40-8 (2-Pyridinepropanoic acid, 6-bromo-)
165105-40-8 structure
Product Name:2-Pyridinepropanoic acid, 6-bromo-
CAS No:165105-40-8
MF:C8H8BrNO2
MW:230.058621406555
CID:2115297
Update Time:2023-08-04
2-Pyridinepropanoic acid, 6-bromo- Chemical and Physical Properties
Names and Identifiers
-
- 6-bromo-2-Pyridinepropanoic acid
- 2-Pyridinepropanoic acid, 6-bromo-
-
- Inchi： 1S/C8H8BrNO2/c9-7-3-1-2-6(10-7)4-5-8(11)12/h1-3H,4-5H2,(H,11,12)
- InChI Key： MRHGAMBYYFLQHW-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(CCC(=O)O)=N1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 163
- Topological Polar Surface Area: 50.2
2-Pyridinepropanoic acid, 6-bromo- Related Literature
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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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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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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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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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