1033461-44-7 Purity
≥98%
If you have any other questions or need other size, please get a quote.
Specification
The molecular formula is C8H11BrN2.
The molecular weight is 215.09 g/mol.
The IUPAC name is 1-ethenyl-3-prop-2-enylimidazol-3-ium bromide.
The InChI is InChI=1S/C8H11N2.BrH/c1-3-5-10-7-6-9(4-2)8-10;/h3-4,6-8H,1-2,5H2;1H/q+1;/p-1.
The InChIKey is ZPMDZBOORVETFL-UHFFFAOYSA-M.
The canonical SMILES is C=CC[N+]1=CN(C=C1)C=C.[Br-].
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 1.
The rotatable bond count is 3.
Yes, it is a canonicalized compound.
Reference: [1]Toure, Momar; Chuzel, Olivier; Parrain, Jean-Luc
[Journal of the American Chemical Society, 2012, vol. 134, # 43, p. 17892 - 17895]
[2]Ye, Chengfeng; Shreeve, Jean'ne M.
[Journal of Organic Chemistry, 2004, vol. 69, # 19, p. 6511 - 6513]
[3]Fareghi-Alamdari, Reza; Hatefipour, Razieh
[Journal of Molecular Liquids, 2017, vol. 225, p. 793 - 799]
[4]Liu, Xu; Lu, Yu; Zeng, Qinghui; Chen, Pingping; Li, Zhenfeng; Wen, Xin; Wen, Wen; Li, Zengxi; Zhang, Liaoyun
[ChemSusChem, 2020, vol. 13, # 4, p. 715 - 723]
Reference: [1]Gao, Ye; Gao, Haixiang; Piekarski, Crystal; Shreeve, Jean'ne M.
[European Journal of Inorganic Chemistry, 2007, # 31, p. 4965 - 4972]