Cas no 936033-56-6 (2-Bromo-3-butoxypyridine)
2-Bromo-3-butoxypyridine structure
Product Name:2-Bromo-3-butoxypyridine
CAS No:936033-56-6
MF:C9H12BrNO
MW:230.10168170929
CID:890521
Update Time:2023-08-03
2-Bromo-3-butoxypyridine Chemical and Physical Properties
Names and Identifiers
-
- 2-BROMO-3-BUTOXY PYRIDINE
- 2-Bromo-3-butoxypyridine
- PubChem5768
- IEDZCTRHPPDOSX-UHFFFAOYSA-N
- BC003023
-
- Inchi： 1S/C9H12BrNO/c1-2-3-7-12-8-5-4-6-11-9(8)10/h4-6H,2-3,7H2,1H3
- InChI Key： IEDZCTRHPPDOSX-UHFFFAOYSA-N
- SMILES： BrC1C(=CC=CN=1)OCCCC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 121
- Topological Polar Surface Area: 22.1
2-Bromo-3-butoxypyridine Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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