Cas no 1285533-34-7 (6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-nitrobenzyl acetate)
1285533-34-7 structure
Product Name:6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-nitrobenzyl acetate
CAS No:1285533-34-7
MF:C15H20BNO6
MW:321.13340473175
CID:2107965
Update Time:2023-11-19
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-nitrobenzyl acetate Chemical and Physical Properties
Names and Identifiers
-
- 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-nitrobenzyl acetate
- CID 121005120
- 2-nitro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate
- Benzenemethanol, 2-nitro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1-acetate
-
- Inchi： 1S/C15H20BNO6/c1-10(18)21-9-11-12(7-6-8-13(11)17(19)20)16-22-14(2,3)15(4,5)23-16/h6-8H,9H2,1-5H3
- InChI Key： FQQNMBVNMWVMQV-UHFFFAOYSA-N
- SMILES： O1B(C2C=CC=C(C=2COC(C)=O)[N+](=O)[O-])OC(C)(C)C1(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 459
- Topological Polar Surface Area: 90.6
Experimental Properties
- Density: 1.19±0.1 g/cm3(Predicted)
- Boiling Point: 421.7±40.0 °C(Predicted)
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-nitrobenzyl acetate Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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