Cas no 123598-51-6 (Boronic acid, [3-fluoro-4-(octyloxy)phenyl]-)
![Boronic acid, [3-fluoro-4-(octyloxy)phenyl]- structure](https://ossimg.kuujia.com/scimg/124000/123598-51-6x500.png)
123598-51-6 structure
Product Name:Boronic acid, [3-fluoro-4-(octyloxy)phenyl]-
CAS No:123598-51-6
MF:C14H22BFO3
MW:268.132088184357
CID:2760111
PubChem ID:10611926
Update Time:2025-04-21
Boronic acid, [3-fluoro-4-(octyloxy)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- JPSMNWCMLLSLNL-UHFFFAOYSA-N
- [3-fluoro-4-(octyloxy)phenyl]boronic acid
- starbld0019258
- 3-Fluoro-4-octyloxyphenylboronic acid
- AKOS004115011
- (3-Fluoro-4-(octyloxy)phenyl)boronic acid
- SCHEMBL6657948
- Boronic acid, B-[3-fluoro-4-(octyloxy)phenyl]-
- 3-fluoro-4-octoxyphenyl boronic acid
- 123598-51-6
- DTXSID80442525
- Boronic acid, [3-fluoro-4-(octyloxy)phenyl]-
- 3-fluoro-4-octyloxyphenyl boronic acid
- 3-fluoro-4-octoxyphenylboronic acid
-
- Inchi： 1S/C14H22BFO3/c1-2-3-4-5-6-7-10-19-14-9-8-12(15(17)18)11-13(14)16/h8-9,11,17-18H,2-7,10H2,1H3
- InChI Key： JPSMNWCMLLSLNL-UHFFFAOYSA-N
- SMILES： FC1C=C(B(O)O)C=CC=1OCCCCCCCC
Computed Properties
- Exact Mass: 268.1646029Da
- Monoisotopic Mass: 268.1646029Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 9
- Complexity: 229
- 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: 49.7?2
Boronic acid, [3-fluoro-4-(octyloxy)phenyl]- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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