Cas no 2368222-24-4 (1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl-2,4,5,6-d4)pyrrolidine-2,2,3,3,4,4,5,5-d8)
2368222-24-4 structure
Product Name:1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl-2,4,5,6-d4)pyrrolidine-2,2,3,3,4,4,5,5-d8
CAS No:2368222-24-4
MF:C16H24BNO2
MW:285.25220489502
CID:6823435
PubChem ID:172400191
Update Time:2025-03-01
1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl-2,4,5,6-d4)pyrrolidine-2,2,3,3,4,4,5,5-d8 Chemical and Physical Properties
Names and Identifiers
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- 2368222-24-4
- CS-20320
- 1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl-2,4,5,6-d4)pyrrolidine-2,2,3,3,4,4,5,5-d8
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- Inchi： 1S/C16H24BNO2/c1-15(2)16(3,4)20-17(19-15)13-8-7-9-14(12-13)18-10-5-6-11-18/h7-9,12H,5-6,10-11H2,1-4H3/i5D2,6D2,7D,8D,9D,10D2,11D2,12D
- InChI Key： ATWXYVDFJLESJV-RPRFBDDBSA-N
- SMILES： O1B(C2=C([2H])C([2H])=C([2H])C(=C2[2H])N2C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])OC(C)(C)C1(C)C
Computed Properties
- Exact Mass: 285.2653301Da
- Monoisotopic Mass: 285.2653301Da
- Isotope Atom Count: 12
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 336
- 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: 21.7?2
1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl-2,4,5,6-d4)pyrrolidine-2,2,3,3,4,4,5,5-d8 Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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