Cas no 1030832-68-8 (2-(2-bromomethyl-4-nitrophenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)
![2-(2-bromomethyl-4-nitrophenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane structure](https://ossimg.kuujia.com/scimg/1031000/1030832-68-8x500.png)
1030832-68-8 structure
Product Name:2-(2-bromomethyl-4-nitrophenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
CAS No:1030832-68-8
MF:C13H17BBrNO4
MW:341.993383169174
CID:2864032
PubChem ID:102102926
Update Time:2025-04-21
2-(2-bromomethyl-4-nitrophenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane Chemical and Physical Properties
Names and Identifiers
-
- 2-(2-bromomethyl-4-nitrophenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
- pinacol 2-bromomethyl-4-nitrophenylboronate;3-bromomethyl-4-(4,4,5,5-tetramethyl-[1,2,3]dioxaborolan-2-yl)-nitrobenzene;
- 2-(2-(Bromomethyl)-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- 2-[2-(bromomethyl)-4-nitrophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- HS-7463
- 1030832-68-8
-
- Inchi： 1S/C13H17BBrNO4/c1-12(2)13(3,4)20-14(19-12)11-6-5-10(16(17)18)7-9(11)8-15/h5-7H,8H2,1-4H3
- InChI Key： UBSQOVNMBCRAKZ-UHFFFAOYSA-N
- SMILES： BrCC1C=C(C=CC=1B1OC(C)(C)C(C)(C)O1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 341.04300
- Monoisotopic Mass: 341.04340Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 369
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 64.3?2
Experimental Properties
- PSA: 64.28000
- LogP: 3.31210
2-(2-bromomethyl-4-nitrophenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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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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