Cas no 2223045-38-1 (2-(iso-Butyl-d9)-pyridine-5-boronic acid pinacol ester)
2223045-38-1 structure
Product Name:2-(iso-Butyl-d9)-pyridine-5-boronic acid pinacol ester
CAS No:2223045-38-1
MF:C15H24BNO2
MW:270.223019599915
CID:6809978
PubChem ID:133550947
Update Time:2025-03-03
2-(iso-Butyl-d9)-pyridine-5-boronic acid pinacol ester Chemical and Physical Properties
Names and Identifiers
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- CS-18277
- 2-(iso-Butyl-d9)-pyridine-5-boronic acid pinacol ester
- 2223045-38-1
-
- Inchi： 1S/C15H24BNO2/c1-11(2)9-13-8-7-12(10-17-13)16-18-14(3,4)15(5,6)19-16/h7-8,10-11H,9H2,1-6H3/i1D3,2D3,9D2,11D
- InChI Key： FBHUYGBTTUMQQD-YAAFEKRKSA-N
- SMILES： O1B(C2=CN=C(C=C2)C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])OC(C)(C)C1(C)C
Computed Properties
- Exact Mass: 270.2464999Da
- Monoisotopic Mass: 270.2464999Da
- Isotope Atom Count: 9
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 301
- 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: 31.4?2
2-(iso-Butyl-d9)-pyridine-5-boronic acid pinacol ester Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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