Cas no 165105-42-0 (4-(6-Bromopyridin-2-yl)but-3-yn-1-ol)
165105-42-0 structure
Product Name:4-(6-Bromopyridin-2-yl)but-3-yn-1-ol
CAS No:165105-42-0
MF:C9H8BrNO
MW:226.06992149353
CID:2113966
Update Time:2023-08-04
4-(6-Bromopyridin-2-yl)but-3-yn-1-ol Chemical and Physical Properties
Names and Identifiers
-
- 4-(6-bromo-2-pyridinyl)-3-Butyn-1-ol
- 3-Butyn-1-ol,4-(6-bromo-2-pyridinyl)-
- 4-(6-Bromopyridin-2-yl)but-3-yn-1-ol
-
- Inchi： 1S/C9H8BrNO/c10-9-6-3-5-8(11-9)4-1-2-7-12/h3,5-6,12H,2,7H2
- InChI Key： AOKRQTXVBFJLKX-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(C#CCCO)=N1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 193
- Topological Polar Surface Area: 33.1
4-(6-Bromopyridin-2-yl)but-3-yn-1-ol Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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