Cas no 654075-36-2 (Boronic acid, (4-ethynyl-2-fluoro-3-pyridinyl)- (9CI))
654075-36-2 structure
Product Name:Boronic acid, (4-ethynyl-2-fluoro-3-pyridinyl)- (9CI)
CAS No:654075-36-2
MF:C7H5BFNO2
MW:164.929505109787
CID:961859
PubChem ID:45090349
Update Time:2025-04-19
Boronic acid, (4-ethynyl-2-fluoro-3-pyridinyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Boronic acid, (4-ethynyl-2-fluoro-3-pyridinyl)- (9CI)
- (4-ethynyl-2-fluoropyridin-3-yl)boronic acid
- DTXSID90666598
- Boronic acid,(4-ethynyl-2-fluoro-3-pyridinyl)-(9ci)
- starbld0019156
- 654075-36-2
-
- Inchi： 1S/C7H5BFNO2/c1-2-5-3-4-10-7(9)6(5)8(11)12/h1,3-4,11-12H
- InChI Key： XQVMKQOHZPGXFT-UHFFFAOYSA-N
- SMILES： FC1C(B(O)O)=C(C#C)C=CN=1
Computed Properties
- Exact Mass: 165.0397367g/mol
- Monoisotopic Mass: 165.0397367g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 203
- 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: 53.4?2
Boronic acid, (4-ethynyl-2-fluoro-3-pyridinyl)- (9CI) Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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