Cas no 1142947-97-4 (3-(3-Isopropyl-phenyl)-thiophene-2-boronic acid)
1142947-97-4 structure
Product Name:3-(3-Isopropyl-phenyl)-thiophene-2-boronic acid
CAS No:1142947-97-4
MF:C13H15BO2S
MW:246.133002519608
CID:2151751
Update Time:2023-08-05
3-(3-Isopropyl-phenyl)-thiophene-2-boronic acid Chemical and Physical Properties
Names and Identifiers
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- 3-(3-isopropyl-phenyl)-thiophene-2-boronic acid
- 3-(3-Isopropyl-phenyl)-thiophene-2-boronic acid
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- Inchi： 1S/C13H15BO2S/c1-9(2)10-4-3-5-11(8-10)12-6-7-17-13(12)14(15)16/h3-9,15-16H,1-2H3
- InChI Key： OZSJTZIFLPHXSI-UHFFFAOYSA-N
- SMILES： S1C=CC(=C1B(O)O)C1=CC=CC(=C1)C(C)C
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 248
- Topological Polar Surface Area: 68.7
3-(3-Isopropyl-phenyl)-thiophene-2-boronic acid Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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