Cas no 130089-22-4 (3-(2-Bromophenyl)oxirane-2-carboxylic acid)
130089-22-4 structure
Product Name:3-(2-Bromophenyl)oxirane-2-carboxylic acid
CAS No:130089-22-4
MF:C9H7BrO3
MW:243.054082155228
CID:4693228
Update Time:2023-08-15
3-(2-Bromophenyl)oxirane-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 3-(2-Bromophenyl)oxirane-2-carboxylic acid
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- Inchi： 1S/C9H7BrO3/c10-6-4-2-1-3-5(6)7-8(13-7)9(11)12/h1-4,7-8H,(H,11,12)
- InChI Key： MPYXZBLIAUVRGB-UHFFFAOYSA-N
- SMILES： BrC1C=CC=CC=1C1C(C(=O)O)O1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 219
- Topological Polar Surface Area: 49.8
3-(2-Bromophenyl)oxirane-2-carboxylic acid Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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